1-cyclopentyl-2,2,2-trifluoroethanone

C7H9F3O — CID 15002815

IUPAC1-cyclopentyl-2,2,2-trifluoroethanone
SMILESO=C(C1CCCC1)C(F)(F)F
InChIInChI=1S/C7H9F3O/c8-7(9,10)6(11)5-3-1-2-4-5/h5H,1-4H2
InChIKeyRLJGNALMBCVVLZ-UHFFFAOYSA-N
MW166.14 g/mol
LogP2.31
Rot. Bonds1

About 1-cyclopentyl-2,2,2-trifluoroethanone

1-cyclopentyl-2,2,2-trifluoroethanone (PubChem CID 15002815) has the molecular formula C7H9F3O and a molecular weight of 166.14 g/mol. Its IUPAC name is 1-cyclopentyl-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-cyclopentyl-2,2,2-trifluoroethanone
PubChem CID15002815
Molecular FormulaC7H9F3O
Molecular Weight166.14 g/mol
Exact Mass166.06
IUPAC Name1-cyclopentyl-2,2,2-trifluoroethanone
SMILESO=C(C1CCCC1)C(F)(F)F
InChIInChI=1S/C7H9F3O/c8-7(9,10)6(11)5-3-1-2-4-5/h5H,1-4H2
InChIKeyRLJGNALMBCVVLZ-UHFFFAOYSA-N
XLogP2.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2,2,2-trifluoroethanone?
The IUPAC name of 1-cyclopentyl-2,2,2-trifluoroethanone (CID 15002815) is 1-cyclopentyl-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-cyclopentyl-2,2,2-trifluoroethanone?
The canonical SMILES for 1-cyclopentyl-2,2,2-trifluoroethanone is O=C(C1CCCC1)C(F)(F)F.
What is the InChIKey of 1-cyclopentyl-2,2,2-trifluoroethanone?
The InChIKey is RLJGNALMBCVVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O/c8-7(9,10)6(11)5-3-1-2-4-5/h5H,1-4H2.
What are the key properties of 1-cyclopentyl-2,2,2-trifluoroethanone?
1-cyclopentyl-2,2,2-trifluoroethanone has a molecular weight of 166.14 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2,2,2-trifluoroethanone is sourced from PubChem (CID 15002815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).