[(6S)-6-fluoro-1,4-oxazepan-2-ylidene]methanol

C6H10FNO2 — CID 175918416

IUPAC[(6S)-6-fluoro-1,4-oxazepan-2-ylidene]methanol
SMILESOC=C1CNC[C@H](F)CO1
InChIInChI=1S/C6H10FNO2/c7-5-1-8-2-6(3-9)10-4-5/h3,5,8-9H,1-2,4H2/t5-/m0/s1
InChIKeyMYFOAXRAAZFTHC-YFKPBYRVSA-N
MW147.15 g/mol
LogP0.34
Rot. Bonds

About [(6S)-6-fluoro-1,4-oxazepan-2-ylidene]methanol

[(6S)-6-fluoro-1,4-oxazepan-2-ylidene]methanol (PubChem CID 175918416) has the molecular formula C6H10FNO2 and a molecular weight of 147.15 g/mol. Its IUPAC name is [(6S)-6-fluoro-1,4-oxazepan-2-ylidene]methanol.

Molecular Properties

Compound Name[(6S)-6-fluoro-1,4-oxazepan-2-ylidene]methanol
PubChem CID175918416
Molecular FormulaC6H10FNO2
Molecular Weight147.15 g/mol
Exact Mass147.07
IUPAC Name[(6S)-6-fluoro-1,4-oxazepan-2-ylidene]methanol
SMILESOC=C1CNC[C@H](F)CO1
InChIInChI=1S/C6H10FNO2/c7-5-1-8-2-6(3-9)10-4-5/h3,5,8-9H,1-2,4H2/t5-/m0/s1
InChIKeyMYFOAXRAAZFTHC-YFKPBYRVSA-N
XLogP0.34
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-5-methylidenepiperidine
CID 91005006
4-fluoro-1,2-oxazolidine
CID 166600468
(3R,5R)-3,5-difluoropiperidine
CID 96532302
[(3R,5S)-5-fluoropiperidin-3-yl]methanol
CID 96532394
4-fluorooxolan-2-one
CID 11480406
(3S,5R)-5-fluoropiperidin-3-ol;hydrochloride
CID 122164293
(3S)-3-fluoropyrrolidine;molecular hydrogen
CID 142415652
(3R,4R,5R)-2-fluorooxane-3,4,5-triol
CID 22858205
(3R)-3-fluoropyrrolidine;molecular hydrogen
CID 178127411
(3S,5R)-5-fluoropiperidine-3-carboxylic acid
CID 45090389
4-fluoro-3-methyl-5-methylidenepiperidine
CID 91562476
bismuthane;carbamodithioic acid;(3R)-3-fluoropyrrolidine
CID 174724758

Frequently Asked Questions

What is the IUPAC name of [(6S)-6-fluoro-1,4-oxazepan-2-ylidene]methanol?
The IUPAC name of [(6S)-6-fluoro-1,4-oxazepan-2-ylidene]methanol (CID 175918416) is [(6S)-6-fluoro-1,4-oxazepan-2-ylidene]methanol.
What is the SMILES notation for [(6S)-6-fluoro-1,4-oxazepan-2-ylidene]methanol?
The canonical SMILES for [(6S)-6-fluoro-1,4-oxazepan-2-ylidene]methanol is OC=C1CNC[C@H](F)CO1.
What is the InChIKey of [(6S)-6-fluoro-1,4-oxazepan-2-ylidene]methanol?
The InChIKey is MYFOAXRAAZFTHC-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10FNO2/c7-5-1-8-2-6(3-9)10-4-5/h3,5,8-9H,1-2,4H2/t5-/m0/s1.
What are the key properties of [(6S)-6-fluoro-1,4-oxazepan-2-ylidene]methanol?
[(6S)-6-fluoro-1,4-oxazepan-2-ylidene]methanol has a molecular weight of 147.15 g/mol, XLogP of 0.34, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-6-fluoro-1,4-oxazepan-2-ylidene]methanol is sourced from PubChem (CID 175918416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).