(6S)-4-[(2-fluorophenyl)methyl]-1,4-oxazepan-6-ol

C12H16FNO2 — CID 129487982

IUPAC(6S)-4-[(2-fluorophenyl)methyl]-1,4-oxazepan-6-ol
SMILESO[C@@H]1COCCN(Cc2ccccc2F)C1
InChIInChI=1S/C12H16FNO2/c13-12-4-2-1-3-10(12)7-14-5-6-16-9-11(15)8-14/h1-4,11,15H,5-9H2/t11-/m0/s1
InChIKeyUTTYSGYIXCUYOS-NSHDSACASA-N
MW225.26 g/mol
LogP1.02
Rot. Bonds2

About (6S)-4-[(2-fluorophenyl)methyl]-1,4-oxazepan-6-ol

(6S)-4-[(2-fluorophenyl)methyl]-1,4-oxazepan-6-ol (PubChem CID 129487982) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is (6S)-4-[(2-fluorophenyl)methyl]-1,4-oxazepan-6-ol.

Molecular Properties

Compound Name(6S)-4-[(2-fluorophenyl)methyl]-1,4-oxazepan-6-ol
PubChem CID129487982
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name(6S)-4-[(2-fluorophenyl)methyl]-1,4-oxazepan-6-ol
SMILESO[C@@H]1COCCN(Cc2ccccc2F)C1
InChIInChI=1S/C12H16FNO2/c13-12-4-2-1-3-10(12)7-14-5-6-16-9-11(15)8-14/h1-4,11,15H,5-9H2/t11-/m0/s1
InChIKeyUTTYSGYIXCUYOS-NSHDSACASA-N
XLogP1.02
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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benzylamine, 3-fluoro-N,N-bis(2-hydroxyethyl)-
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Gzznbnbzfxlzqf-mjbxvcdlsa-
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CID 234347

Frequently Asked Questions

What is the IUPAC name of (6S)-4-[(2-fluorophenyl)methyl]-1,4-oxazepan-6-ol?
The IUPAC name of (6S)-4-[(2-fluorophenyl)methyl]-1,4-oxazepan-6-ol (CID 129487982) is (6S)-4-[(2-fluorophenyl)methyl]-1,4-oxazepan-6-ol.
What is the SMILES notation for (6S)-4-[(2-fluorophenyl)methyl]-1,4-oxazepan-6-ol?
The canonical SMILES for (6S)-4-[(2-fluorophenyl)methyl]-1,4-oxazepan-6-ol is O[C@@H]1COCCN(Cc2ccccc2F)C1.
What is the InChIKey of (6S)-4-[(2-fluorophenyl)methyl]-1,4-oxazepan-6-ol?
The InChIKey is UTTYSGYIXCUYOS-NSHDSACASA-N. The full InChI is InChI=1S/C12H16FNO2/c13-12-4-2-1-3-10(12)7-14-5-6-16-9-11(15)8-14/h1-4,11,15H,5-9H2/t11-/m0/s1.
What are the key properties of (6S)-4-[(2-fluorophenyl)methyl]-1,4-oxazepan-6-ol?
(6S)-4-[(2-fluorophenyl)methyl]-1,4-oxazepan-6-ol has a molecular weight of 225.26 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-[(2-fluorophenyl)methyl]-1,4-oxazepan-6-ol is sourced from PubChem (CID 129487982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).