6-fluorooxepan-4-ol

C6H11FO2 — CID 176685604

IUPAC6-fluorooxepan-4-ol
SMILESOC1CCOCC(F)C1
InChIInChI=1S/C6H11FO2/c7-5-3-6(8)1-2-9-4-5/h5-6,8H,1-4H2
InChIKeyQHVKDIWSHGJLPO-UHFFFAOYSA-N
MW134.15 g/mol
LogP0.50
Rot. Bonds

About 6-fluorooxepan-4-ol

6-fluorooxepan-4-ol (PubChem CID 176685604) has the molecular formula C6H11FO2 and a molecular weight of 134.15 g/mol. Its IUPAC name is 6-fluorooxepan-4-ol.

Molecular Properties

Compound Name6-fluorooxepan-4-ol
PubChem CID176685604
Molecular FormulaC6H11FO2
Molecular Weight134.15 g/mol
Exact Mass134.07
IUPAC Name6-fluorooxepan-4-ol
SMILESOC1CCOCC(F)C1
InChIInChI=1S/C6H11FO2/c7-5-3-6(8)1-2-9-4-5/h5-6,8H,1-4H2
InChIKeyQHVKDIWSHGJLPO-UHFFFAOYSA-N
XLogP0.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.15
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;oxepane-3,5-diol
CID 176685419
(3R)-oxolan-3-ol;hydrochloride
CID 101043602
ethane;(3R)-oxolan-3-ol
CID 145226146
(3S,5S)-5-hydroxyoxepane-3-carboxylic acid
CID 68653290
oxolan-3-ol;propane
CID 144858845
3-fluorooxepane
CID 118248166
(2R,4R)-2-(oxan-4-yl)oxan-4-ol
CID 95335722
3-[methyl(oxolan-3-yl)amino]cyclohexan-1-ol
CID 82749082
3-deuterio-4-fluorooxolane
CID 175741859
5-fluorooxan-3-amine
CID 134714853
(1R,6R,7S)-3-oxabicyclo[4.1.0]heptan-7-ol
CID 178200312
CID 170516792
CID 170516792

Frequently Asked Questions

What is the IUPAC name of 6-fluorooxepan-4-ol?
The IUPAC name of 6-fluorooxepan-4-ol (CID 176685604) is 6-fluorooxepan-4-ol.
What is the SMILES notation for 6-fluorooxepan-4-ol?
The canonical SMILES for 6-fluorooxepan-4-ol is OC1CCOCC(F)C1.
What is the InChIKey of 6-fluorooxepan-4-ol?
The InChIKey is QHVKDIWSHGJLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO2/c7-5-3-6(8)1-2-9-4-5/h5-6,8H,1-4H2.
What are the key properties of 6-fluorooxepan-4-ol?
6-fluorooxepan-4-ol has a molecular weight of 134.15 g/mol, XLogP of 0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorooxepan-4-ol is sourced from PubChem (CID 176685604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).