7-[(4-fluorophenyl)methyl]-1,4-oxazepane

C12H16FNO — CID 59367955

IUPAC7-[(4-fluorophenyl)methyl]-1,4-oxazepane
SMILESFc1ccc(CC2CCNCCO2)cc1
InChIInChI=1S/C12H16FNO/c13-11-3-1-10(2-4-11)9-12-5-6-14-7-8-15-12/h1-4,12,14H,5-9H2
InChIKeyYZZKFZWSXRAOEZ-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.75
Rot. Bonds2

About 7-[(4-fluorophenyl)methyl]-1,4-oxazepane

7-[(4-fluorophenyl)methyl]-1,4-oxazepane (PubChem CID 59367955) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-1,4-oxazepane.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-1,4-oxazepane
PubChem CID59367955
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name7-[(4-fluorophenyl)methyl]-1,4-oxazepane
SMILESFc1ccc(CC2CCNCCO2)cc1
InChIInChI=1S/C12H16FNO/c13-11-3-1-10(2-4-11)9-12-5-6-14-7-8-15-12/h1-4,12,14H,5-9H2
InChIKeyYZZKFZWSXRAOEZ-UHFFFAOYSA-N
XLogP1.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-1,4-oxazepane?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-1,4-oxazepane (CID 59367955) is 7-[(4-fluorophenyl)methyl]-1,4-oxazepane.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-1,4-oxazepane?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-1,4-oxazepane is Fc1ccc(CC2CCNCCO2)cc1.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-1,4-oxazepane?
The InChIKey is YZZKFZWSXRAOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c13-11-3-1-10(2-4-11)9-12-5-6-14-7-8-15-12/h1-4,12,14H,5-9H2.
What are the key properties of 7-[(4-fluorophenyl)methyl]-1,4-oxazepane?
7-[(4-fluorophenyl)methyl]-1,4-oxazepane has a molecular weight of 209.26 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-1,4-oxazepane is sourced from PubChem (CID 59367955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).