2-Chlorotetrafluoropropanamide

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CAS Number

6066-47-3

MDL Number

MFCD00155711

Purity

≥95%

Smiles

NC (=O) C (F) (Cl) C (F) (F) F

Chemical Information

2-Chlorotetrafluoropropanamide

CAS Number	6066-47-3
PubChem CID	2782493
IUPAC Name	2-chloro-2,3,3,3-tetrafluoropropanamide
Molecular Formula	C3H2ClF4NO
Molecular Weight	179.50
XLogP	1.2
Topological Polar Surface Area	43.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	157

SMILES

C(=O)(C(C(F)(F)F)(F)Cl)N

InChI

InChI=1S/C3H2ClF4NO/c4-2(5,1(9)10)3(6,7)8/h(H2,9,10)

InChIKey

UMFJSFJYSGJYFW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6066-47-3

CID: 2782493

Formula: C3H2ClF4NO

MW: 179.50

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	179.50
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	178.9761040
Monoisotopic Mass	178.9761040
Topological Polar Surface Area	43.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	157
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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