(2,2-difluoro-6-oxaspiro[3.4]octan-7-yl)methanol

C8H12F2O2 — CID 162422509

IUPAC(2,2-difluoro-6-oxaspiro[3.4]octan-7-yl)methanol
SMILESOCC1CC2(CO1)CC(F)(F)C2
InChIInChI=1S/C8H12F2O2/c9-8(10)3-7(4-8)1-6(2-11)12-5-7/h6,11H,1-5H2
InChIKeyUKPXLZCUSXQUPD-UHFFFAOYSA-N
MW178.18 g/mol
LogP1.18
Rot. Bonds1

About (2,2-difluoro-6-oxaspiro[3.4]octan-7-yl)methanol

(2,2-difluoro-6-oxaspiro[3.4]octan-7-yl)methanol (PubChem CID 162422509) has the molecular formula C8H12F2O2 and a molecular weight of 178.18 g/mol. Its IUPAC name is (2,2-difluoro-6-oxaspiro[3.4]octan-7-yl)methanol.

Molecular Properties

Compound Name(2,2-difluoro-6-oxaspiro[3.4]octan-7-yl)methanol
PubChem CID162422509
Molecular FormulaC8H12F2O2
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name(2,2-difluoro-6-oxaspiro[3.4]octan-7-yl)methanol
SMILESOCC1CC2(CO1)CC(F)(F)C2
InChIInChI=1S/C8H12F2O2/c9-8(10)3-7(4-8)1-6(2-11)12-5-7/h6,11H,1-5H2
InChIKeyUKPXLZCUSXQUPD-UHFFFAOYSA-N
XLogP1.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(8,8-difluoro-2-oxaspiro[4.4]nonan-3-yl)methanol
CID 162422511
2-oxa-8-azaspiro[4.5]decan-3-ylmethanol
CID 57368663
CID 147254336
CID 147254336
(4-methyl-4-prop-2-enyloxolan-2-yl)methanol
CID 130147797
4,4-difluoro-2-propyloxolane
CID 170980405
(3R)-3-(bromomethyl)-2-oxaspiro[4.4]nonane
CID 125455820
4,4-difluoro-2-(2-methylpropyl)oxolane
CID 171468236
(7S)-7-(bromomethyl)-2-methyl-6-oxaspiro[3.4]octane
CID 125456550
(7R)-7-(bromomethyl)-2-methyl-6-oxaspiro[3.4]octane
CID 125456552
(6R)-6-(iodomethyl)-5-oxaspiro[2.4]heptane
CID 125455243
8,8-difluoro-2-oxaspiro[4.4]nonane-3-carboxylic acid
CID 162422513
(3S,5R)-3-(bromomethyl)-2,7-dioxaspiro[4.4]nonane
CID 125455903

Frequently Asked Questions

What is the IUPAC name of (2,2-difluoro-6-oxaspiro[3.4]octan-7-yl)methanol?
The IUPAC name of (2,2-difluoro-6-oxaspiro[3.4]octan-7-yl)methanol (CID 162422509) is (2,2-difluoro-6-oxaspiro[3.4]octan-7-yl)methanol.
What is the SMILES notation for (2,2-difluoro-6-oxaspiro[3.4]octan-7-yl)methanol?
The canonical SMILES for (2,2-difluoro-6-oxaspiro[3.4]octan-7-yl)methanol is OCC1CC2(CO1)CC(F)(F)C2.
What is the InChIKey of (2,2-difluoro-6-oxaspiro[3.4]octan-7-yl)methanol?
The InChIKey is UKPXLZCUSXQUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O2/c9-8(10)3-7(4-8)1-6(2-11)12-5-7/h6,11H,1-5H2.
What are the key properties of (2,2-difluoro-6-oxaspiro[3.4]octan-7-yl)methanol?
(2,2-difluoro-6-oxaspiro[3.4]octan-7-yl)methanol has a molecular weight of 178.18 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 (2,2-difluoro-6-oxaspiro[3.4]octan-7-yl)methanol is sourced from PubChem (CID 162422509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).