2-(fluoromethyl)-6-methyloxan-4-ol

C7H13FO2 — CID 142172461

IUPAC2-(fluoromethyl)-6-methyloxan-4-ol
SMILESCC1CC(O)CC(CF)O1
InChIInChI=1S/C7H13FO2/c1-5-2-6(9)3-7(4-8)10-5/h5-7,9H,2-4H2,1H3
InChIKeyFDJVQOAWYRYEKV-UHFFFAOYSA-N
MW148.18 g/mol
LogP0.88
Rot. Bonds1

About 2-(fluoromethyl)-6-methyloxan-4-ol

2-(fluoromethyl)-6-methyloxan-4-ol (PubChem CID 142172461) has the molecular formula C7H13FO2 and a molecular weight of 148.18 g/mol. Its IUPAC name is 2-(fluoromethyl)-6-methyloxan-4-ol.

Molecular Properties

Compound Name2-(fluoromethyl)-6-methyloxan-4-ol
PubChem CID142172461
Molecular FormulaC7H13FO2
Molecular Weight148.18 g/mol
Exact Mass148.09
IUPAC Name2-(fluoromethyl)-6-methyloxan-4-ol
SMILESCC1CC(O)CC(CF)O1
InChIInChI=1S/C7H13FO2/c1-5-2-6(9)3-7(4-8)10-5/h5-7,9H,2-4H2,1H3
InChIKeyFDJVQOAWYRYEKV-UHFFFAOYSA-N
XLogP0.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4R,6S)-2-(iodomethyl)-6-methyloxan-4-ol
CID 102173518
ethanamine;ethene;(2S,4R)-2-(hydroxymethyl)-6-methyloxan-4-ol
CID 142157408
(3S,5S)-2-(fluoromethyl)-5-methyloxolan-3-ol
CID 58758245
(2R,4S,6R)-2-ethenyl-6-methyloxan-4-ol
CID 138966744
2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol
CID 20758656
[(4S)-4,6-dimethyloxan-2-yl]methanol
CID 59821303
(2S,4S,6S)-2-methyl-6-phenyloxan-4-ol
CID 134981811
2-methyl-6-phenylmethoxyoxan-4-ol
CID 162749545
ethyl 2-[(2S,4R,6S)-4-hydroxy-6-methyloxan-2-yl]propanoate
CID 101136322
(2S)-6-(hydroxymethyl)oxane-2,4-diol
CID 147942620
(2S,5S)-2,5-bis(fluoromethyl)oxolane
CID 118183548
(2R,3S)-2-ethyl-5-methyloxolan-3-ol
CID 174181244

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-6-methyloxan-4-ol?
The IUPAC name of 2-(fluoromethyl)-6-methyloxan-4-ol (CID 142172461) is 2-(fluoromethyl)-6-methyloxan-4-ol.
What is the SMILES notation for 2-(fluoromethyl)-6-methyloxan-4-ol?
The canonical SMILES for 2-(fluoromethyl)-6-methyloxan-4-ol is CC1CC(O)CC(CF)O1.
What is the InChIKey of 2-(fluoromethyl)-6-methyloxan-4-ol?
The InChIKey is FDJVQOAWYRYEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO2/c1-5-2-6(9)3-7(4-8)10-5/h5-7,9H,2-4H2,1H3.
What are the key properties of 2-(fluoromethyl)-6-methyloxan-4-ol?
2-(fluoromethyl)-6-methyloxan-4-ol has a molecular weight of 148.18 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-6-methyloxan-4-ol is sourced from PubChem (CID 142172461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).