(1S)-2,2-difluoro-1-phenylcyclopropane-1-carboxamide

C10H9F2NO — CID 134595983

IUPAC(1S)-2,2-difluoro-1-phenylcyclopropane-1-carboxamide
SMILESNC(=O)[C@@]1(c2ccccc2)CC1(F)F
InChIInChI=1S/C10H9F2NO/c11-10(12)6-9(10,8(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H2,13,14)/t9-/m0/s1
InChIKeyQOBITWZZGWIERT-VIFPVBQESA-N
MW197.18 g/mol
LogP1.45
Rot. Bonds2

About (1S)-2,2-difluoro-1-phenylcyclopropane-1-carboxamide

(1S)-2,2-difluoro-1-phenylcyclopropane-1-carboxamide (PubChem CID 134595983) has the molecular formula C10H9F2NO and a molecular weight of 197.18 g/mol. Its IUPAC name is (1S)-2,2-difluoro-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2-difluoro-1-phenylcyclopropane-1-carboxamide
PubChem CID134595983
Molecular FormulaC10H9F2NO
Molecular Weight197.18 g/mol
Exact Mass197.07
IUPAC Name(1S)-2,2-difluoro-1-phenylcyclopropane-1-carboxamide
SMILESNC(=O)[C@@]1(c2ccccc2)CC1(F)F
InChIInChI=1S/C10H9F2NO/c11-10(12)6-9(10,8(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H2,13,14)/t9-/m0/s1
InChIKeyQOBITWZZGWIERT-VIFPVBQESA-N
XLogP1.45
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(dimethylamino)methyl]-2-hydroxy-1-phenylcyclopropane-1-carboxamide
CID 141177942
1-phenylcyclopropane-1-carboxamide;hydrochloride
CID 57461944
(1R)-1-methyl-2,2-diphenylcyclopropane-1-carboxamide
CID 86339419
1-phenylcyclopentane-1-carboxamide;dihydrochloride
CID 142770378
cis-(1S,2R)-1-(aminomethyl)-2-fluoro-2-phenylcyclopropane-1-carboxylic acid
CID 11344820
trans-(1R,2R)-1-(aminomethyl)-2-fluoro-2-phenylcyclopropane-1-carboxylic acid
CID 11344819
3,3-difluoro-1-phenylcyclopentane-1-carboxylic acid
CID 105483674
3-phenylbicyclo[1.1.1]pentane-1-carbonyl chloride
CID 134895483
methyl 2-phenylspiro[2.3]hexane-2-carboxylate
CID 134589125
methyl (1S)-1,2,2-triphenylcyclopropane-1-carboxylate
CID 100975897
methyl (1S)-2,2-dichloro-1-phenylcyclopropane-1-carboxylate
CID 7127361
3-(1,2,2-trifluorocyclopropyl)benzoic acid
CID 155822897

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-difluoro-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of (1S)-2,2-difluoro-1-phenylcyclopropane-1-carboxamide (CID 134595983) is (1S)-2,2-difluoro-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2,2-difluoro-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2,2-difluoro-1-phenylcyclopropane-1-carboxamide is NC(=O)[C@@]1(c2ccccc2)CC1(F)F.
What is the InChIKey of (1S)-2,2-difluoro-1-phenylcyclopropane-1-carboxamide?
The InChIKey is QOBITWZZGWIERT-VIFPVBQESA-N. The full InChI is InChI=1S/C10H9F2NO/c11-10(12)6-9(10,8(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H2,13,14)/t9-/m0/s1.
What are the key properties of (1S)-2,2-difluoro-1-phenylcyclopropane-1-carboxamide?
(1S)-2,2-difluoro-1-phenylcyclopropane-1-carboxamide has a molecular weight of 197.18 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-difluoro-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 134595983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).