cis-(1R,2S)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide

C10H9F2NO — CID 124562405

IUPACcis-(1R,2S)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C10H9F2NO/c11-8-2-1-5(3-9(8)12)6-4-7(6)10(13)14/h1-3,6-7H,4H2,(H2,13,14)/t6-,7-/m1/s1
InChIKeyPYEJQVYISBUGDU-RNFRBKRXSA-N
MW197.18 g/mol
LogP1.55
Rot. Bonds2

About cis-(1R,2S)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide

cis-(1R,2S)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide (PubChem CID 124562405) has the molecular formula C10H9F2NO and a molecular weight of 197.18 g/mol. Its IUPAC name is cis-(1R,2S)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide
PubChem CID124562405
Molecular FormulaC10H9F2NO
Molecular Weight197.18 g/mol
Exact Mass197.07
IUPAC Namecis-(1R,2S)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C10H9F2NO/c11-8-2-1-5(3-9(8)12)6-4-7(6)10(13)14/h1-3,6-7H,4H2,(H2,13,14)/t6-,7-/m1/s1
InChIKeyPYEJQVYISBUGDU-RNFRBKRXSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 23027092
2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 66485215
(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 88976035
cis-(1R,2S)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 95245016
(4-aminopiperidin-1-yl)-[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methanone
CID 100644316
trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
CID 129348570
trans-(1S,2S)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 131139995
trans-(1S,2R)-2-(3,4-difluorophenyl)cyclopropan-1-amine;trans-(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine
CID 154925657
[(3R)-3-aminopyrrolidin-1-yl]-[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methanone
CID 124699536
trans-(1S,2S)-2-(4-bromophenyl)cyclopropane-1-carboxamide
CID 66795977
[(3R)-3-aminopyrrolidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone;hydrochloride
CID 119412379
2-(3,4-difluorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide
CID 119503198

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide (CID 124562405) is cis-(1R,2S)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide is NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1.
What is the InChIKey of cis-(1R,2S)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is PYEJQVYISBUGDU-RNFRBKRXSA-N. The full InChI is InChI=1S/C10H9F2NO/c11-8-2-1-5(3-9(8)12)6-4-7(6)10(13)14/h1-3,6-7H,4H2,(H2,13,14)/t6-,7-/m1/s1.
What are the key properties of cis-(1R,2S)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide?
cis-(1R,2S)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 197.18 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 124562405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).