3-cyclopentyl-2-[4-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propanamide

C15H19F4NO — CID 142652189

IUPAC3-cyclopentyl-2-[4-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propanamide
SMILESNC(=O)C(CC1CCCC1)C1=CCC(F)(C(F)(F)F)C=C1
InChIInChI=1S/C15H19F4NO/c16-14(15(17,18)19)7-5-11(6-8-14)12(13(20)21)9-10-3-1-2-4-10/h5-7,10,12H,1-4,8-9H2,(H2,20,21)
InChIKeyHXDLXOMBUMUNJG-UHFFFAOYSA-N
MW305.31 g/mol
LogP3.83
Rot. Bonds4

About 3-cyclopentyl-2-[4-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propanamide

3-cyclopentyl-2-[4-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propanamide (PubChem CID 142652189) has the molecular formula C15H19F4NO and a molecular weight of 305.31 g/mol. Its IUPAC name is 3-cyclopentyl-2-[4-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-[4-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propanamide
PubChem CID142652189
Molecular FormulaC15H19F4NO
Molecular Weight305.31 g/mol
Exact Mass305.14
IUPAC Name3-cyclopentyl-2-[4-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propanamide
SMILESNC(=O)C(CC1CCCC1)C1=CCC(F)(C(F)(F)F)C=C1
InChIInChI=1S/C15H19F4NO/c16-14(15(17,18)19)7-5-11(6-8-14)12(13(20)21)9-10-3-1-2-4-10/h5-7,10,12H,1-4,8-9H2,(H2,20,21)
InChIKeyHXDLXOMBUMUNJG-UHFFFAOYSA-N
XLogP3.83
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-[4-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propanamide?
The IUPAC name of 3-cyclopentyl-2-[4-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propanamide (CID 142652189) is 3-cyclopentyl-2-[4-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propanamide.
What is the SMILES notation for 3-cyclopentyl-2-[4-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propanamide?
The canonical SMILES for 3-cyclopentyl-2-[4-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propanamide is NC(=O)C(CC1CCCC1)C1=CCC(F)(C(F)(F)F)C=C1.
What is the InChIKey of 3-cyclopentyl-2-[4-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propanamide?
The InChIKey is HXDLXOMBUMUNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F4NO/c16-14(15(17,18)19)7-5-11(6-8-14)12(13(20)21)9-10-3-1-2-4-10/h5-7,10,12H,1-4,8-9H2,(H2,20,21).
What are the key properties of 3-cyclopentyl-2-[4-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propanamide?
3-cyclopentyl-2-[4-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propanamide has a molecular weight of 305.31 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-[4-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propanamide is sourced from PubChem (CID 142652189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).