trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide

C10H9F2NO — CID 129348570

IUPACtrans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
SMILESNC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F
InChIInChI=1S/C10H9F2NO/c11-5-1-2-9(12)7(3-5)6-4-8(6)10(13)14/h1-3,6,8H,4H2,(H2,13,14)/t6-,8+/m1/s1
InChIKeyXXOLJZIQGQGPPB-SVRRBLITSA-N
MW197.18 g/mol
LogP1.55
Rot. Bonds2

About trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide

trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide (PubChem CID 129348570) has the molecular formula C10H9F2NO and a molecular weight of 197.18 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
PubChem CID129348570
Molecular FormulaC10H9F2NO
Molecular Weight197.18 g/mol
Exact Mass197.07
IUPAC Nametrans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
SMILESNC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F
InChIInChI=1S/C10H9F2NO/c11-5-1-2-9(12)7(3-5)6-4-8(6)10(13)14/h1-3,6,8H,4H2,(H2,13,14)/t6-,8+/m1/s1
InChIKeyXXOLJZIQGQGPPB-SVRRBLITSA-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

trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 51888164
cis-(1S,2R)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 51888162
2-(2,5-difluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide
CID 126784599
trans-(1R,2R)-2-(2,5-difluorophenyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide
CID 95782949
2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 66485215
cis-(1R,2S)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide
CID 124562405
[2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 119401469
2-(2,5-difluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclopropane-1-carboxamide
CID 111539652
[2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401468
3-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119177424
3-[[(1S,2R)-2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 124704684
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-[(1S,2R)-2-(2,5-difluorophenyl)cyclopropyl]methanone
CID 125147004

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide (CID 129348570) is trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide is NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F.
What is the InChIKey of trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is XXOLJZIQGQGPPB-SVRRBLITSA-N. The full InChI is InChI=1S/C10H9F2NO/c11-5-1-2-9(12)7(3-5)6-4-8(6)10(13)14/h1-3,6,8H,4H2,(H2,13,14)/t6-,8+/m1/s1.
What are the key properties of trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide?
trans-(1S,2S)-2-(2,5-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 trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 129348570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).