1-[4-(trifluoromethyl)cyclohexylidene]propan-2-one

C10H13F3O — CID 103970892

IUPAC1-[4-(trifluoromethyl)cyclohexylidene]propan-2-one
SMILESCC(=O)C=C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H13F3O/c1-7(14)6-8-2-4-9(5-3-8)10(11,12)13/h6,9H,2-5H2,1H3/b8-6-
InChIKeyFLTWPJKMDJYMNY-VURMDHGXSA-N
MW206.21 g/mol
LogP3.25
Rot. Bonds1

About 1-[4-(trifluoromethyl)cyclohexylidene]propan-2-one

1-[4-(trifluoromethyl)cyclohexylidene]propan-2-one (PubChem CID 103970892) has the molecular formula C10H13F3O and a molecular weight of 206.21 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)cyclohexylidene]propan-2-one.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)cyclohexylidene]propan-2-one
PubChem CID103970892
Molecular FormulaC10H13F3O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name1-[4-(trifluoromethyl)cyclohexylidene]propan-2-one
SMILESCC(=O)C=C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H13F3O/c1-7(14)6-8-2-4-9(5-3-8)10(11,12)13/h6,9H,2-5H2,1H3/b8-6-
InChIKeyFLTWPJKMDJYMNY-VURMDHGXSA-N
XLogP3.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)cyclohexylidene]propan-2-one?
The IUPAC name of 1-[4-(trifluoromethyl)cyclohexylidene]propan-2-one (CID 103970892) is 1-[4-(trifluoromethyl)cyclohexylidene]propan-2-one.
What is the SMILES notation for 1-[4-(trifluoromethyl)cyclohexylidene]propan-2-one?
The canonical SMILES for 1-[4-(trifluoromethyl)cyclohexylidene]propan-2-one is CC(=O)C=C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-[4-(trifluoromethyl)cyclohexylidene]propan-2-one?
The InChIKey is FLTWPJKMDJYMNY-VURMDHGXSA-N. The full InChI is InChI=1S/C10H13F3O/c1-7(14)6-8-2-4-9(5-3-8)10(11,12)13/h6,9H,2-5H2,1H3/b8-6-.
What are the key properties of 1-[4-(trifluoromethyl)cyclohexylidene]propan-2-one?
1-[4-(trifluoromethyl)cyclohexylidene]propan-2-one has a molecular weight of 206.21 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)cyclohexylidene]propan-2-one is sourced from PubChem (CID 103970892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).