(3-fluorooxan-4-yl)methanol

C6H11FO2 — CID 84648216

IUPAC(3-fluorooxan-4-yl)methanol
SMILESOCC1CCOCC1F
InChIInChI=1S/C6H11FO2/c7-6-4-9-2-1-5(6)3-8/h5-6,8H,1-4H2
InChIKeySPFZJBOFKUZIMQ-UHFFFAOYSA-N
MW134.15 g/mol
LogP0.35
Rot. Bonds1

About (3-fluorooxan-4-yl)methanol

(3-fluorooxan-4-yl)methanol (PubChem CID 84648216) has the molecular formula C6H11FO2 and a molecular weight of 134.15 g/mol. Its IUPAC name is (3-fluorooxan-4-yl)methanol.

Molecular Properties

Compound Name(3-fluorooxan-4-yl)methanol
PubChem CID84648216
Molecular FormulaC6H11FO2
Molecular Weight134.15 g/mol
Exact Mass134.07
IUPAC Name(3-fluorooxan-4-yl)methanol
SMILESOCC1CCOCC1F
InChIInChI=1S/C6H11FO2/c7-6-4-9-2-1-5(6)3-8/h5-6,8H,1-4H2
InChIKeySPFZJBOFKUZIMQ-UHFFFAOYSA-N
XLogP0.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.15
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluorooxan-4-yl)methanol?
The IUPAC name of (3-fluorooxan-4-yl)methanol (CID 84648216) is (3-fluorooxan-4-yl)methanol.
What is the SMILES notation for (3-fluorooxan-4-yl)methanol?
The canonical SMILES for (3-fluorooxan-4-yl)methanol is OCC1CCOCC1F.
What is the InChIKey of (3-fluorooxan-4-yl)methanol?
The InChIKey is SPFZJBOFKUZIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO2/c7-6-4-9-2-1-5(6)3-8/h5-6,8H,1-4H2.
What are the key properties of (3-fluorooxan-4-yl)methanol?
(3-fluorooxan-4-yl)methanol has a molecular weight of 134.15 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorooxan-4-yl)methanol is sourced from PubChem (CID 84648216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).