(5,5-difluoro-6-methyloxan-2-yl)methanol

C7H12F2O2 — CID 171531904

IUPAC(5,5-difluoro-6-methyloxan-2-yl)methanol
SMILESCC1OC(CO)CCC1(F)F
InChIInChI=1S/C7H12F2O2/c1-5-7(8,9)3-2-6(4-10)11-5/h5-6,10H,2-4H2,1H3
InChIKeyYCJQXMFMOOOANP-UHFFFAOYSA-N
MW166.17 g/mol
LogP1.18
Rot. Bonds1

About (5,5-difluoro-6-methyloxan-2-yl)methanol

(5,5-difluoro-6-methyloxan-2-yl)methanol (PubChem CID 171531904) has the molecular formula C7H12F2O2 and a molecular weight of 166.17 g/mol. Its IUPAC name is (5,5-difluoro-6-methyloxan-2-yl)methanol.

Molecular Properties

Compound Name(5,5-difluoro-6-methyloxan-2-yl)methanol
PubChem CID171531904
Molecular FormulaC7H12F2O2
Molecular Weight166.17 g/mol
Exact Mass166.08
IUPAC Name(5,5-difluoro-6-methyloxan-2-yl)methanol
SMILESCC1OC(CO)CCC1(F)F
InChIInChI=1S/C7H12F2O2/c1-5-7(8,9)3-2-6(4-10)11-5/h5-6,10H,2-4H2,1H3
InChIKeyYCJQXMFMOOOANP-UHFFFAOYSA-N
XLogP1.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S,6R)-6-amino-5-fluoro-5-methyloxan-2-yl]methanol
CID 145336693
[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]methanol
CID 12886254
CID 169187680
CID 169187680
5-(hydroxymethyl)-2,3-dimethyloxolan-3-ol
CID 89394802
[(2R)-5-(dimethylamino)oxolan-2-yl]methanol
CID 59319470
(8-methyl-1,7-dioxaspiro[4.4]nonan-2-yl)methanol
CID 131249079
ethane;(5-propan-2-yloxolan-2-yl)methanol
CID 170570841
[(2R)-3,3-difluoro-5-methyloxolan-2-yl]methanol
CID 88976409
[(2R,5S)-5-[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]oxolan-2-yl]methanol
CID 57325873
3,3-difluoro-2-methyloxane
CID 146204349
ethane-1,2-diamine;[5-(hydroxymethyl)oxolan-2-yl]methanol
CID 174792194
[5-[5-(hydroxymethyl)-2-(3-trimethylsilylprop-2-ynyl)oxolan-2-yl]oxolan-2-yl]methanol
CID 67621235

Frequently Asked Questions

What is the IUPAC name of (5,5-difluoro-6-methyloxan-2-yl)methanol?
The IUPAC name of (5,5-difluoro-6-methyloxan-2-yl)methanol (CID 171531904) is (5,5-difluoro-6-methyloxan-2-yl)methanol.
What is the SMILES notation for (5,5-difluoro-6-methyloxan-2-yl)methanol?
The canonical SMILES for (5,5-difluoro-6-methyloxan-2-yl)methanol is CC1OC(CO)CCC1(F)F.
What is the InChIKey of (5,5-difluoro-6-methyloxan-2-yl)methanol?
The InChIKey is YCJQXMFMOOOANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O2/c1-5-7(8,9)3-2-6(4-10)11-5/h5-6,10H,2-4H2,1H3.
What are the key properties of (5,5-difluoro-6-methyloxan-2-yl)methanol?
(5,5-difluoro-6-methyloxan-2-yl)methanol has a molecular weight of 166.17 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-difluoro-6-methyloxan-2-yl)methanol is sourced from PubChem (CID 171531904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).