cyclohepten-1-yl-[4-(trifluoromethyl)-3-pyridinyl]methanone

C14H14F3NO — CID 103450414

IUPACcyclohepten-1-yl-[4-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(C1=CCCCCC1)c1cnccc1C(F)(F)F
InChIInChI=1S/C14H14F3NO/c15-14(16,17)12-7-8-18-9-11(12)13(19)10-5-3-1-2-4-6-10/h5,7-9H,1-4,6H2
InChIKeyVSXCFFXQJJMUNW-UHFFFAOYSA-N
MW269.27 g/mol
LogP4.17
Rot. Bonds2

About cyclohepten-1-yl-[4-(trifluoromethyl)-3-pyridinyl]methanone

cyclohepten-1-yl-[4-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 103450414) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is cyclohepten-1-yl-[4-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Namecyclohepten-1-yl-[4-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID103450414
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC Namecyclohepten-1-yl-[4-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(C1=CCCCCC1)c1cnccc1C(F)(F)F
InChIInChI=1S/C14H14F3NO/c15-14(16,17)12-7-8-18-9-11(12)13(19)10-5-3-1-2-4-6-10/h5,7-9H,1-4,6H2
InChIKeyVSXCFFXQJJMUNW-UHFFFAOYSA-N
XLogP4.17
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of cyclohepten-1-yl-[4-(trifluoromethyl)-3-pyridinyl]methanone (CID 103450414) is cyclohepten-1-yl-[4-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for cyclohepten-1-yl-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for cyclohepten-1-yl-[4-(trifluoromethyl)-3-pyridinyl]methanone is O=C(C1=CCCCCC1)c1cnccc1C(F)(F)F.
What is the InChIKey of cyclohepten-1-yl-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is VSXCFFXQJJMUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO/c15-14(16,17)12-7-8-18-9-11(12)13(19)10-5-3-1-2-4-6-10/h5,7-9H,1-4,6H2.
What are the key properties of cyclohepten-1-yl-[4-(trifluoromethyl)-3-pyridinyl]methanone?
cyclohepten-1-yl-[4-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 269.27 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl-[4-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 103450414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).