[4-(fluoromethyl)oxan-4-yl]methanol

C7H13FO2 — CID 84763078

IUPAC[4-(fluoromethyl)oxan-4-yl]methanol
SMILESOCC1(CF)CCOCC1
InChIInChI=1S/C7H13FO2/c8-5-7(6-9)1-3-10-4-2-7/h9H,1-6H2
InChIKeyJNQMZCORSJHLAQ-UHFFFAOYSA-N
MW148.18 g/mol
LogP0.75
Rot. Bonds2

About [4-(fluoromethyl)oxan-4-yl]methanol

[4-(fluoromethyl)oxan-4-yl]methanol (PubChem CID 84763078) has the molecular formula C7H13FO2 and a molecular weight of 148.18 g/mol. Its IUPAC name is [4-(fluoromethyl)oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-(fluoromethyl)oxan-4-yl]methanol
PubChem CID84763078
Molecular FormulaC7H13FO2
Molecular Weight148.18 g/mol
Exact Mass148.09
IUPAC Name[4-(fluoromethyl)oxan-4-yl]methanol
SMILESOCC1(CF)CCOCC1
InChIInChI=1S/C7H13FO2/c8-5-7(6-9)1-3-10-4-2-7/h9H,1-6H2
InChIKeyJNQMZCORSJHLAQ-UHFFFAOYSA-N
XLogP0.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(fluoromethyl)oxan-4-yl]methanol?
The IUPAC name of [4-(fluoromethyl)oxan-4-yl]methanol (CID 84763078) is [4-(fluoromethyl)oxan-4-yl]methanol.
What is the SMILES notation for [4-(fluoromethyl)oxan-4-yl]methanol?
The canonical SMILES for [4-(fluoromethyl)oxan-4-yl]methanol is OCC1(CF)CCOCC1.
What is the InChIKey of [4-(fluoromethyl)oxan-4-yl]methanol?
The InChIKey is JNQMZCORSJHLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO2/c8-5-7(6-9)1-3-10-4-2-7/h9H,1-6H2.
What are the key properties of [4-(fluoromethyl)oxan-4-yl]methanol?
[4-(fluoromethyl)oxan-4-yl]methanol has a molecular weight of 148.18 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(fluoromethyl)oxan-4-yl]methanol is sourced from PubChem (CID 84763078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).