4,4'-Difluorodiphenylamine

CAT: 0926-FD100675-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0926-FD100675-01Size:1 g

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CAS Number

330-91-6

Smiles

C1=CC (=CC=C1NC2=CC=C (C=C2) F) F

Molecular Formula

C12H9F2N

Molecular Weight

205.20 g/mol

Controlled

Chemical Information

4-Fluoro-N-(4-fluorophenyl)benzenamine

CAS Number	330-91-6
PubChem CID	11241173
IUPAC Name	4-fluoro-N-(4-fluorophenyl)aniline
Molecular Formula	C12H9F2N
Molecular Weight	205.20
XLogP	3.7
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	162

SMILES

C1=CC(=CC=C1NC2=CC=C(C=C2)F)F

InChI

InChI=1S/C12H9F2N/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,15H

InChIKey

SGJCXOWLBVNALR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 330-91-6

CID: 11241173

Formula: C12H9F2N

MW: 205.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	205.20
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	205.07030562
Monoisotopic Mass	205.07030562
Topological Polar Surface Area	12 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	162
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
CAA61330	4-Chloro-2,5-difluorophenylamine
ZAC94802	(3- (2,4-difluorophenylamino) prop-2-enylidene) 2,4-difluorophenylamine, hydrochloride
JXB85075-01	4,4,4-Trifluorobutanethioamide
AAA46134	4,4,4-Trifluorobutanamide
FT77427	4,4,4-Trifluorovaline
AAA40687	4,4,4-Trifluorobutanal
HCA98858-01	4- (4'-Bromophenyl) -4-hydroxypiperidine
FE60063-01	Ethyl 4,4,4-Trichloroacetoacetate
IC20325-01	4- (4-Chlorophenyl) -4-hydroxypiperidine
BAA53282-01	4- (4-Methylbenzenesulfonate) -4-isoquinolinol

Catalog	Name
PC5215	4,4,4,4',4',4'-Hexafluorovaline hydrochloride
PC6412	4,4,4-Trifluorobutyl 4,4,4-trifluorobutanoate
OR1011273-01	4,4',4'',4'''-Methanetetrayltetrabenzaldehyde
OR1011238-01	4,4,4,4-Silanetetrayltetrabenzaldehyde
OR1011275-01	4,4',4'',4'''-Methanetetrayltetraphenol
PC4810-01	4,4,4,4',4',4'-Hexafluoro-DL-valine
PC450233-01	4,4,4,4',4',4'-Hexafluorovaline, ethyl ester
HY-W099255-01	Ethyl 4,4,4,4',4',4'-hexafluoro-DL-valinate
OR1001790-01	4,4',4'',4'''-Silanetetrayltetrabenzoic acid
25725310-01	4,4'-Sulfonyldiphenol (4,4'-Dihydroxydiphenylsulfone)