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

C11H16F3NO3 — CID 54875517

IUPAC2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCCCN(CC(F)(F)F)C(=O)C1CC1C(=O)O
InChIInChI=1S/C11H16F3NO3/c1-2-3-4-15(6-11(12,13)14)9(16)7-5-8(7)10(17)18/h7-8H,2-6H2,1H3,(H,17,18)
InChIKeyFQMFWQXPBDLZKQ-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.90
Rot. Bonds6

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

2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 54875517) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID54875517
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Name2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCCCN(CC(F)(F)F)C(=O)C1CC1C(=O)O
InChIInChI=1S/C11H16F3NO3/c1-2-3-4-15(6-11(12,13)14)9(16)7-5-8(7)10(17)18/h7-8H,2-6H2,1H3,(H,17,18)
InChIKeyFQMFWQXPBDLZKQ-UHFFFAOYSA-N
XLogP1.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 54875517) is 2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid is CCCCN(CC(F)(F)F)C(=O)C1CC1C(=O)O.
What is the InChIKey of 2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is FQMFWQXPBDLZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c1-2-3-4-15(6-11(12,13)14)9(16)7-5-8(7)10(17)18/h7-8H,2-6H2,1H3,(H,17,18).
What are the key properties of 2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 267.25 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 54875517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).