2-[[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid

C13H11F4NO3 — CID 119186037

IUPAC2-[[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NC(c1ccc(F)cc1)C(F)(F)F
InChIInChI=1S/C13H11F4NO3/c14-7-3-1-6(2-4-7)10(13(15,16)17)18-11(19)8-5-9(8)12(20)21/h1-4,8-10H,5H2,(H,18,19)(H,20,21)
InChIKeyVYWCPWCTWAUFBL-UHFFFAOYSA-N
MW305.23 g/mol
LogP2.27
Rot. Bonds4

About 2-[[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid

2-[[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 119186037) has the molecular formula C13H11F4NO3 and a molecular weight of 305.23 g/mol. Its IUPAC name is 2-[[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID119186037
Molecular FormulaC13H11F4NO3
Molecular Weight305.23 g/mol
Exact Mass305.07
IUPAC Name2-[[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NC(c1ccc(F)cc1)C(F)(F)F
InChIInChI=1S/C13H11F4NO3/c14-7-3-1-6(2-4-7)10(13(15,16)17)18-11(19)8-5-9(8)12(20)21/h1-4,8-10H,5H2,(H,18,19)(H,20,21)
InChIKeyVYWCPWCTWAUFBL-UHFFFAOYSA-N
XLogP2.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.23
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

2-[[1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120552789
2-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119182088
2-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60792836
trans-(1R,2R)-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124834541
6-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 81351475
2-(3-methylcyclohexyl)oxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]acetamide
CID 86971033
2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60792833
cis-(1S,2R)-2-[bis(4-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125154200
2-(2-methylcyclohexyl)oxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]acetamide
CID 86971032
2-[ethyl-[3-[[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122091506
2-[[2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119187280
2-[1-(3,4-dimethylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119180730

Frequently Asked Questions

What is the IUPAC name of 2-[[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 119186037) is 2-[[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)NC(c1ccc(F)cc1)C(F)(F)F.
What is the InChIKey of 2-[[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is VYWCPWCTWAUFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4NO3/c14-7-3-1-6(2-4-7)10(13(15,16)17)18-11(19)8-5-9(8)12(20)21/h1-4,8-10H,5H2,(H,18,19)(H,20,21).
What are the key properties of 2-[[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid?
2-[[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 305.23 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 119186037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).