2-[(1-cyclopentyl-2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid

C12H16F3NO3 — CID 120696116

IUPAC2-[(1-cyclopentyl-2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NC(C1CCCC1)C(F)(F)F
InChIInChI=1S/C12H16F3NO3/c13-12(14,15)9(6-3-1-2-4-6)16-10(17)7-5-8(7)11(18)19/h6-9H,1-5H2,(H,16,17)(H,18,19)
InChIKeyZHVLDNXMOVTBPP-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.94
Rot. Bonds4

About 2-[(1-cyclopentyl-2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid

2-[(1-cyclopentyl-2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 120696116) has the molecular formula C12H16F3NO3 and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-[(1-cyclopentyl-2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1-cyclopentyl-2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID120696116
Molecular FormulaC12H16F3NO3
Molecular Weight279.26 g/mol
Exact Mass279.11
IUPAC Name2-[(1-cyclopentyl-2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NC(C1CCCC1)C(F)(F)F
InChIInChI=1S/C12H16F3NO3/c13-12(14,15)9(6-3-1-2-4-6)16-10(17)7-5-8(7)11(18)19/h6-9H,1-5H2,(H,16,17)(H,18,19)
InChIKeyZHVLDNXMOVTBPP-UHFFFAOYSA-N
XLogP1.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclooctylcarbamoyl)cyclopropane-1-carboxylic Acid
CID 4638930
5-Oxo-5-[[3-(trifluoromethyl)cyclohexyl]amino]pentanoic acid
CID 54868229
2-[[3-(Trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54868239
5-Oxo-5-[[4-(trifluoromethyl)cyclohexyl]amino]pentanoic acid
CID 54868338
2-[[4-(Trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54868339
5-Oxo-5-[[2-(trifluoromethyl)cyclohexyl]amino]pentanoic acid
CID 54868351
2-[[2-(Trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54868352
2-(2,2,2-Trifluoroethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60792519
2-(3,3,3-Trifluoropropylcarbamoyl)cyclopropane-1-carboxylic acid
CID 63226040
2,2-Dimethyl-3-[[3-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 64834835
2,2-Dimethyl-3-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 64835405
2,2-Dimethyl-3-[[2-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 64835406

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopentyl-2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(1-cyclopentyl-2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 120696116) is 2-[(1-cyclopentyl-2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(1-cyclopentyl-2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(1-cyclopentyl-2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)NC(C1CCCC1)C(F)(F)F.
What is the InChIKey of 2-[(1-cyclopentyl-2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is ZHVLDNXMOVTBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO3/c13-12(14,15)9(6-3-1-2-4-6)16-10(17)7-5-8(7)11(18)19/h6-9H,1-5H2,(H,16,17)(H,18,19).
What are the key properties of 2-[(1-cyclopentyl-2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[(1-cyclopentyl-2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 279.26 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopentyl-2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 120696116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).