(4-fluoro-3,5-dimethyloxolan-2-yl)methanol

C7H13FO2 — CID 76558929

IUPAC(4-fluoro-3,5-dimethyloxolan-2-yl)methanol
SMILESCC1OC(CO)C(C)C1F
InChIInChI=1S/C7H13FO2/c1-4-6(3-9)10-5(2)7(4)8/h4-7,9H,3H2,1-2H3
InChIKeyBNYMPPGGVCXUIC-UHFFFAOYSA-N
MW148.18 g/mol
LogP0.74
Rot. Bonds1

About (4-fluoro-3,5-dimethyloxolan-2-yl)methanol

(4-fluoro-3,5-dimethyloxolan-2-yl)methanol (PubChem CID 76558929) has the molecular formula C7H13FO2 and a molecular weight of 148.18 g/mol. Its IUPAC name is (4-fluoro-3,5-dimethyloxolan-2-yl)methanol.

Molecular Properties

Compound Name(4-fluoro-3,5-dimethyloxolan-2-yl)methanol
PubChem CID76558929
Molecular FormulaC7H13FO2
Molecular Weight148.18 g/mol
Exact Mass148.09
IUPAC Name(4-fluoro-3,5-dimethyloxolan-2-yl)methanol
SMILESCC1OC(CO)C(C)C1F
InChIInChI=1S/C7H13FO2/c1-4-6(3-9)10-5(2)7(4)8/h4-7,9H,3H2,1-2H3
InChIKeyBNYMPPGGVCXUIC-UHFFFAOYSA-N
XLogP0.74
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 ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,5S)-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 126576554
(3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 58758262
(2S,3R,4R,5S,6R)-5-fluoro-6-(hydroxymethyl)-2-methyloxane-3,4-diol
CID 89292161
CID 21040981
CID 21040981
[(3S,4R,6S)-3,4,5,6-tetramethyloxan-2-yl]methanol
CID 157375693
[(2S,3S,4R,5S,6R)-3,4,5,6-tetramethyloxan-2-yl]methanol
CID 163662814
2-(hydroxymethyl)-3,5,6-trimethyloxan-4-ol
CID 22983061
(2R,5R)-6-(hydroxymethyl)-2,4,5-trimethyloxan-3-ol
CID 168899706
(2R,3S,4S,5S)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 122527518
(3R,4R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 121426281
ethane;2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 144927729
(3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 146299921

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3,5-dimethyloxolan-2-yl)methanol?
The IUPAC name of (4-fluoro-3,5-dimethyloxolan-2-yl)methanol (CID 76558929) is (4-fluoro-3,5-dimethyloxolan-2-yl)methanol.
What is the SMILES notation for (4-fluoro-3,5-dimethyloxolan-2-yl)methanol?
The canonical SMILES for (4-fluoro-3,5-dimethyloxolan-2-yl)methanol is CC1OC(CO)C(C)C1F.
What is the InChIKey of (4-fluoro-3,5-dimethyloxolan-2-yl)methanol?
The InChIKey is BNYMPPGGVCXUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO2/c1-4-6(3-9)10-5(2)7(4)8/h4-7,9H,3H2,1-2H3.
What are the key properties of (4-fluoro-3,5-dimethyloxolan-2-yl)methanol?
(4-fluoro-3,5-dimethyloxolan-2-yl)methanol has a molecular weight of 148.18 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3,5-dimethyloxolan-2-yl)methanol is sourced from PubChem (CID 76558929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).