8-[4-(trifluoromethyl)phenyl]azocan-2-one

C14H16F3NO — CID 165498935

IUPAC8-[4-(trifluoromethyl)phenyl]azocan-2-one
SMILESO=C1CCCCCC(c2ccc(C(F)(F)F)cc2)N1
InChIInChI=1S/C14H16F3NO/c15-14(16,17)11-8-6-10(7-9-11)12-4-2-1-3-5-13(19)18-12/h6-9,12H,1-5H2,(H,18,19)
InChIKeyIMLPTNFOTYLPGG-UHFFFAOYSA-N
MW271.28 g/mol
LogP3.83
Rot. Bonds1

About 8-[4-(trifluoromethyl)phenyl]azocan-2-one

8-[4-(trifluoromethyl)phenyl]azocan-2-one (PubChem CID 165498935) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is 8-[4-(trifluoromethyl)phenyl]azocan-2-one.

Molecular Properties

Compound Name8-[4-(trifluoromethyl)phenyl]azocan-2-one
PubChem CID165498935
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name8-[4-(trifluoromethyl)phenyl]azocan-2-one
SMILESO=C1CCCCCC(c2ccc(C(F)(F)F)cc2)N1
InChIInChI=1S/C14H16F3NO/c15-14(16,17)11-8-6-10(7-9-11)12-4-2-1-3-5-13(19)18-12/h6-9,12H,1-5H2,(H,18,19)
InChIKeyIMLPTNFOTYLPGG-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(trifluoromethyl)phenyl]azocan-2-one?
The IUPAC name of 8-[4-(trifluoromethyl)phenyl]azocan-2-one (CID 165498935) is 8-[4-(trifluoromethyl)phenyl]azocan-2-one.
What is the SMILES notation for 8-[4-(trifluoromethyl)phenyl]azocan-2-one?
The canonical SMILES for 8-[4-(trifluoromethyl)phenyl]azocan-2-one is O=C1CCCCCC(c2ccc(C(F)(F)F)cc2)N1.
What is the InChIKey of 8-[4-(trifluoromethyl)phenyl]azocan-2-one?
The InChIKey is IMLPTNFOTYLPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c15-14(16,17)11-8-6-10(7-9-11)12-4-2-1-3-5-13(19)18-12/h6-9,12H,1-5H2,(H,18,19).
What are the key properties of 8-[4-(trifluoromethyl)phenyl]azocan-2-one?
8-[4-(trifluoromethyl)phenyl]azocan-2-one has a molecular weight of 271.28 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(trifluoromethyl)phenyl]azocan-2-one is sourced from PubChem (CID 165498935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).