2-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid

C12H10F3NO3 — CID 53270434

IUPAC2-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H10F3NO3/c13-12(14,15)6-2-1-3-7(4-6)16-10(17)8-5-9(8)11(18)19/h1-4,8-9H,5H2,(H,16,17)(H,18,19)
InChIKeyPEMGNYQITZLISO-UHFFFAOYSA-N
MW273.21 g/mol
LogP2.36
Rot. Bonds3

About 2-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid

2-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 53270434) has the molecular formula C12H10F3NO3 and a molecular weight of 273.21 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID53270434
Molecular FormulaC12H10F3NO3
Molecular Weight273.21 g/mol
Exact Mass273.06
IUPAC Name2-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H10F3NO3/c13-12(14,15)6-2-1-3-7(4-6)16-10(17)8-5-9(8)11(18)19/h1-4,8-9H,5H2,(H,16,17)(H,18,19)
InChIKeyPEMGNYQITZLISO-UHFFFAOYSA-N
XLogP2.36
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-cyclohexyl-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109132496
2-(azepane-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 109140728
1-N-(2,5-dimethylphenyl)-2-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109141616
(1S,2S,3R,4S)-3-[[3-(trifluoromethyl)phenyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 18557826
cis-(1S,2R)-2-[(3-hydroxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 11877929
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
3-[[3-(trifluoromethyl)phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 2829240
2-(3-methylpiperidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 109140438
2-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270444
cis-(1S,2R)-2-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 40535923
2-N-(pyridin-2-ylmethyl)-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109136961
2-N-[2-(2-fluorophenyl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109137657

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 53270434) is 2-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is PEMGNYQITZLISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO3/c13-12(14,15)6-2-1-3-7(4-6)16-10(17)8-5-9(8)11(18)19/h1-4,8-9H,5H2,(H,16,17)(H,18,19).
What are the key properties of 2-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
2-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 273.21 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 53270434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).