5,5,5-trifluoro-1-(1-phenylcyclopropyl)pentan-1-one

C14H15F3O — CID 113326829

IUPAC5,5,5-trifluoro-1-(1-phenylcyclopropyl)pentan-1-one
SMILESO=C(CCCC(F)(F)F)C1(c2ccccc2)CC1
InChIInChI=1S/C14H15F3O/c15-14(16,17)8-4-7-12(18)13(9-10-13)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2
InChIKeyOEBOQZVOLRSQLM-UHFFFAOYSA-N
MW256.27 g/mol
LogP4.02
Rot. Bonds5

About 5,5,5-trifluoro-1-(1-phenylcyclopropyl)pentan-1-one

5,5,5-trifluoro-1-(1-phenylcyclopropyl)pentan-1-one (PubChem CID 113326829) has the molecular formula C14H15F3O and a molecular weight of 256.27 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(1-phenylcyclopropyl)pentan-1-one.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(1-phenylcyclopropyl)pentan-1-one
PubChem CID113326829
Molecular FormulaC14H15F3O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name5,5,5-trifluoro-1-(1-phenylcyclopropyl)pentan-1-one
SMILESO=C(CCCC(F)(F)F)C1(c2ccccc2)CC1
InChIInChI=1S/C14H15F3O/c15-14(16,17)8-4-7-12(18)13(9-10-13)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2
InChIKeyOEBOQZVOLRSQLM-UHFFFAOYSA-N
XLogP4.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(1-phenylcyclopropyl)pentan-1-one?
The IUPAC name of 5,5,5-trifluoro-1-(1-phenylcyclopropyl)pentan-1-one (CID 113326829) is 5,5,5-trifluoro-1-(1-phenylcyclopropyl)pentan-1-one.
What is the SMILES notation for 5,5,5-trifluoro-1-(1-phenylcyclopropyl)pentan-1-one?
The canonical SMILES for 5,5,5-trifluoro-1-(1-phenylcyclopropyl)pentan-1-one is O=C(CCCC(F)(F)F)C1(c2ccccc2)CC1.
What is the InChIKey of 5,5,5-trifluoro-1-(1-phenylcyclopropyl)pentan-1-one?
The InChIKey is OEBOQZVOLRSQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3O/c15-14(16,17)8-4-7-12(18)13(9-10-13)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2.
What are the key properties of 5,5,5-trifluoro-1-(1-phenylcyclopropyl)pentan-1-one?
5,5,5-trifluoro-1-(1-phenylcyclopropyl)pentan-1-one has a molecular weight of 256.27 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(1-phenylcyclopropyl)pentan-1-one is sourced from PubChem (CID 113326829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).