2-Fluorobenzotrifluoride

CAT: 0127-PC3580-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-PC3580-01Size:25 g

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CAS Number

392-85-8

Synonyms

1-Fluoro-2- (trifluoromethyl) benzene, alpha, alpha, alpha,2-Tetrafluorotoluene

MDL Number

MFCD00000374

Purity

99%

Smiles

Fc1ccccc1C(F)(F)F

Chemical Information

Benzene, 1-fluoro-2-(trifluoromethyl)-

CAS Number	392-85-8
PubChem CID	9807
IUPAC Name	1-fluoro-2-(trifluoromethyl)benzene
Molecular Formula	C7H4F4
Molecular Weight	164.10
XLogP	3
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	129

SMILES

C1=CC=C(C(=C1)C(F)(F)F)F

InChI

InChI=1S/C7H4F4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H

InChIKey

BGVGHYOIWIALFF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 392-85-8

CID: 9807

Formula: C7H4F4

MW: 164.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	164.10
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	164.02491278
Monoisotopic Mass	164.02491278
Topological Polar Surface Area	0 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	129
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
PC4269-01	2-Chloro-6-fluorobenzotrifluoride
PC9088-01	2-Chloro-5-fluorobenzotrifluoride
PC1421-01	2-Bromo-5-fluorobenzotrifluoride
PC1071R-01	2-Amino-3-fluorobenzotrifluoride
PC101287-01	2-Ethoxy-4-fluorobenzotrifluoride
PC4268-01	2-Chloro-4-fluorobenzotrifluoride
PC1072-01	2-Amino-5-fluorobenzotrifluoride
PC1495-01	2-Amino-6-fluorobenzotrifluoride
PC9396-01	2-Bromo-4-fluorobenzotrifluoride
PC1420T-01	2-Bromo-3-fluorobenzotrifluoride

Catalog	Name
sc-230337	2-Fluorobenzotrifluoride
416892-01	2-Chloro-5-fluorobenzotrifluoride
sc-261894A	4-Cyano-2-fluorobenzotrifluoride
sc-259275	2- (Chlorosulphonyl) -4-fluorobenzotrifluoride
sc-256696	4-Bromo-2-fluorobenzotrifluoride
sc-230035	2-Bromo-5-fluorobenzotrifluoride
sc-507006	4-Chloro-2-fluorobenzotrifluoride
A22170	2-Amino-5-fluorobenzotrifluoride
424168-01	3-Bromo-2-fluorobenzotrifluoride
sc-312688	3-Chloro-2-fluorobenzotrifluoride