3-cyclopentyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one

C15H16F4O — CID 107291308

IUPAC3-cyclopentyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one
SMILESO=C(CCC1CCCC1)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C15H16F4O/c16-13-9-11(6-7-12(13)15(17,18)19)14(20)8-5-10-3-1-2-4-10/h6-7,9-10H,1-5,8H2
InChIKeyDRVSJVYWWIXXNY-UHFFFAOYSA-N
MW288.28 g/mol
LogP5.00
Rot. Bonds4

About 3-cyclopentyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one

3-cyclopentyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 107291308) has the molecular formula C15H16F4O and a molecular weight of 288.28 g/mol. Its IUPAC name is 3-cyclopentyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one
PubChem CID107291308
Molecular FormulaC15H16F4O
Molecular Weight288.28 g/mol
Exact Mass288.11
IUPAC Name3-cyclopentyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one
SMILESO=C(CCC1CCCC1)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C15H16F4O/c16-13-9-11(6-7-12(13)15(17,18)19)14(20)8-5-10-3-1-2-4-10/h6-7,9-10H,1-5,8H2
InChIKeyDRVSJVYWWIXXNY-UHFFFAOYSA-N
XLogP5.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one (CID 107291308) is 3-cyclopentyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one is O=C(CCC1CCCC1)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of 3-cyclopentyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is DRVSJVYWWIXXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F4O/c16-13-9-11(6-7-12(13)15(17,18)19)14(20)8-5-10-3-1-2-4-10/h6-7,9-10H,1-5,8H2.
What are the key properties of 3-cyclopentyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one?
3-cyclopentyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 288.28 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 107291308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).