1H-azepin-4-yl-(4-fluorophenyl)methanone

C13H10FNO — CID 22376908

IUPAC1H-azepin-4-yl-(4-fluorophenyl)methanone
SMILESO=C(C1=CC=CNC=C1)c1ccc(F)cc1
InChIInChI=1S/C13H10FNO/c14-12-5-3-11(4-6-12)13(16)10-2-1-8-15-9-7-10/h1-9,15H
InChIKeyDPHLDPJCDLVRKB-UHFFFAOYSA-N
MW215.23 g/mol
LogP2.57
Rot. Bonds2

About 1H-azepin-4-yl-(4-fluorophenyl)methanone

1H-azepin-4-yl-(4-fluorophenyl)methanone (PubChem CID 22376908) has the molecular formula C13H10FNO and a molecular weight of 215.23 g/mol. Its IUPAC name is 1H-azepin-4-yl-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name1H-azepin-4-yl-(4-fluorophenyl)methanone
PubChem CID22376908
Molecular FormulaC13H10FNO
Molecular Weight215.23 g/mol
Exact Mass215.07
IUPAC Name1H-azepin-4-yl-(4-fluorophenyl)methanone
SMILESO=C(C1=CC=CNC=C1)c1ccc(F)cc1
InChIInChI=1S/C13H10FNO/c14-12-5-3-11(4-6-12)13(16)10-2-1-8-15-9-7-10/h1-9,15H
InChIKeyDPHLDPJCDLVRKB-UHFFFAOYSA-N
XLogP2.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-azepin-4-yl-(4-fluorophenyl)methanone?
The IUPAC name of 1H-azepin-4-yl-(4-fluorophenyl)methanone (CID 22376908) is 1H-azepin-4-yl-(4-fluorophenyl)methanone.
What is the SMILES notation for 1H-azepin-4-yl-(4-fluorophenyl)methanone?
The canonical SMILES for 1H-azepin-4-yl-(4-fluorophenyl)methanone is O=C(C1=CC=CNC=C1)c1ccc(F)cc1.
What is the InChIKey of 1H-azepin-4-yl-(4-fluorophenyl)methanone?
The InChIKey is DPHLDPJCDLVRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO/c14-12-5-3-11(4-6-12)13(16)10-2-1-8-15-9-7-10/h1-9,15H.
What are the key properties of 1H-azepin-4-yl-(4-fluorophenyl)methanone?
1H-azepin-4-yl-(4-fluorophenyl)methanone has a molecular weight of 215.23 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-azepin-4-yl-(4-fluorophenyl)methanone is sourced from PubChem (CID 22376908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).