(2Z)-2-[[(4-fluorophenyl)methylamino]methylidene]cyclohexan-1-one

C14H16FNO — CID 2190658

IUPAC(2Z)-2-[[(4-fluorophenyl)methylamino]methylidene]cyclohexan-1-one
SMILESO=C1CCCC/C1=C/NCc1ccc(F)cc1
InChIInChI=1S/C14H16FNO/c15-13-7-5-11(6-8-13)9-16-10-12-3-1-2-4-14(12)17/h5-8,10,16H,1-4,9H2/b12-10-
InChIKeyTYYYIRBPKNFFHA-BENRWUELSA-N
MW233.29 g/mol
LogP2.94
Rot. Bonds3

About (2Z)-2-[[(4-fluorophenyl)methylamino]methylidene]cyclohexan-1-one

(2Z)-2-[[(4-fluorophenyl)methylamino]methylidene]cyclohexan-1-one (PubChem CID 2190658) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is (2Z)-2-[[(4-fluorophenyl)methylamino]methylidene]cyclohexan-1-one.

Molecular Properties

Compound Name(2Z)-2-[[(4-fluorophenyl)methylamino]methylidene]cyclohexan-1-one
PubChem CID2190658
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name(2Z)-2-[[(4-fluorophenyl)methylamino]methylidene]cyclohexan-1-one
SMILESO=C1CCCC/C1=C/NCc1ccc(F)cc1
InChIInChI=1S/C14H16FNO/c15-13-7-5-11(6-8-13)9-16-10-12-3-1-2-4-14(12)17/h5-8,10,16H,1-4,9H2/b12-10-
InChIKeyTYYYIRBPKNFFHA-BENRWUELSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (2Z)-2-[[(4-fluorophenyl)methylamino]methylidene]cyclohexan-1-one?
The IUPAC name of (2Z)-2-[[(4-fluorophenyl)methylamino]methylidene]cyclohexan-1-one (CID 2190658) is (2Z)-2-[[(4-fluorophenyl)methylamino]methylidene]cyclohexan-1-one.
What is the SMILES notation for (2Z)-2-[[(4-fluorophenyl)methylamino]methylidene]cyclohexan-1-one?
The canonical SMILES for (2Z)-2-[[(4-fluorophenyl)methylamino]methylidene]cyclohexan-1-one is O=C1CCCC/C1=C/NCc1ccc(F)cc1.
What is the InChIKey of (2Z)-2-[[(4-fluorophenyl)methylamino]methylidene]cyclohexan-1-one?
The InChIKey is TYYYIRBPKNFFHA-BENRWUELSA-N. The full InChI is InChI=1S/C14H16FNO/c15-13-7-5-11(6-8-13)9-16-10-12-3-1-2-4-14(12)17/h5-8,10,16H,1-4,9H2/b12-10-.
What are the key properties of (2Z)-2-[[(4-fluorophenyl)methylamino]methylidene]cyclohexan-1-one?
(2Z)-2-[[(4-fluorophenyl)methylamino]methylidene]cyclohexan-1-one has a molecular weight of 233.29 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[[(4-fluorophenyl)methylamino]methylidene]cyclohexan-1-one is sourced from PubChem (CID 2190658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).