(4E)-4-[(4-fluorophenyl)methylidene]azepane

C13H16FN — CID 134385751

IUPAC(4E)-4-[(4-fluorophenyl)methylidene]azepane
SMILESFc1ccc(/C=C2\CCCNCC2)cc1
InChIInChI=1S/C13H16FN/c14-13-5-3-12(4-6-13)10-11-2-1-8-15-9-7-11/h3-6,10,15H,1-2,7-9H2/b11-10+
InChIKeySJPLVYNWDMGEAE-ZHACJKMWSA-N
MW205.28 g/mol
LogP2.98
Rot. Bonds1

About (4E)-4-[(4-fluorophenyl)methylidene]azepane

(4E)-4-[(4-fluorophenyl)methylidene]azepane (PubChem CID 134385751) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is (4E)-4-[(4-fluorophenyl)methylidene]azepane.

Molecular Properties

Compound Name(4E)-4-[(4-fluorophenyl)methylidene]azepane
PubChem CID134385751
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Name(4E)-4-[(4-fluorophenyl)methylidene]azepane
SMILESFc1ccc(/C=C2\CCCNCC2)cc1
InChIInChI=1S/C13H16FN/c14-13-5-3-12(4-6-13)10-11-2-1-8-15-9-7-11/h3-6,10,15H,1-2,7-9H2/b11-10+
InChIKeySJPLVYNWDMGEAE-ZHACJKMWSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(4-fluorophenyl)methylidene]azepane?
The IUPAC name of (4E)-4-[(4-fluorophenyl)methylidene]azepane (CID 134385751) is (4E)-4-[(4-fluorophenyl)methylidene]azepane.
What is the SMILES notation for (4E)-4-[(4-fluorophenyl)methylidene]azepane?
The canonical SMILES for (4E)-4-[(4-fluorophenyl)methylidene]azepane is Fc1ccc(/C=C2\CCCNCC2)cc1.
What is the InChIKey of (4E)-4-[(4-fluorophenyl)methylidene]azepane?
The InChIKey is SJPLVYNWDMGEAE-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H16FN/c14-13-5-3-12(4-6-13)10-11-2-1-8-15-9-7-11/h3-6,10,15H,1-2,7-9H2/b11-10+.
What are the key properties of (4E)-4-[(4-fluorophenyl)methylidene]azepane?
(4E)-4-[(4-fluorophenyl)methylidene]azepane has a molecular weight of 205.28 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(4-fluorophenyl)methylidene]azepane is sourced from PubChem (CID 134385751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).