2,2-difluoro-3-(oxan-3-yl)propan-1-ol

C8H14F2O2 — CID 105438580

IUPAC2,2-difluoro-3-(oxan-3-yl)propan-1-ol
SMILESOCC(F)(F)CC1CCCOC1
InChIInChI=1S/C8H14F2O2/c9-8(10,6-11)4-7-2-1-3-12-5-7/h7,11H,1-6H2
InChIKeySHGPXWPTYRGAPG-UHFFFAOYSA-N
MW180.19 g/mol
LogP1.43
Rot. Bonds3

About 2,2-difluoro-3-(oxan-3-yl)propan-1-ol

2,2-difluoro-3-(oxan-3-yl)propan-1-ol (PubChem CID 105438580) has the molecular formula C8H14F2O2 and a molecular weight of 180.19 g/mol. Its IUPAC name is 2,2-difluoro-3-(oxan-3-yl)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(oxan-3-yl)propan-1-ol
PubChem CID105438580
Molecular FormulaC8H14F2O2
Molecular Weight180.19 g/mol
Exact Mass180.10
IUPAC Name2,2-difluoro-3-(oxan-3-yl)propan-1-ol
SMILESOCC(F)(F)CC1CCCOC1
InChIInChI=1S/C8H14F2O2/c9-8(10,6-11)4-7-2-1-3-12-5-7/h7,11H,1-6H2
InChIKeySHGPXWPTYRGAPG-UHFFFAOYSA-N
XLogP1.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Difluoro-2-(oxan-4-yl)ethan-1-ol
CID 89613364
{9,9-Difluoro-3-oxabicyclo[3.3.1]nonan-7-yl}methanol
CID 155820052
4,4,4-Trifluoro-1-(oxan-4-yl)butan-2-ol
CID 62608036
1,1,1-Trifluoro-3-(oxan-4-yl)propan-2-ol
CID 62961701
4,4,4-Trifluoro-1-(oxan-4-yl)butan-1-ol
CID 64565769
4,4,4-Trifluoro-1-(oxan-3-yl)butan-1-ol
CID 64565770
[3-[3-(2,2,2-Trifluoroethoxy)propyl]oxan-3-yl]methanol
CID 66059231
4-Methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-ol
CID 66059807
2-Ethyl-5-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 66060274
2-Propyl-5-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 66060474
5,5,5-Trifluoro-1-(oxan-4-yl)pentan-2-ol
CID 79953290
2-Fluoro-3-(oxan-4-yl)propan-1-ol
CID 84021233

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(oxan-3-yl)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(oxan-3-yl)propan-1-ol (CID 105438580) is 2,2-difluoro-3-(oxan-3-yl)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(oxan-3-yl)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(oxan-3-yl)propan-1-ol is OCC(F)(F)CC1CCCOC1.
What is the InChIKey of 2,2-difluoro-3-(oxan-3-yl)propan-1-ol?
The InChIKey is SHGPXWPTYRGAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O2/c9-8(10,6-11)4-7-2-1-3-12-5-7/h7,11H,1-6H2.
What are the key properties of 2,2-difluoro-3-(oxan-3-yl)propan-1-ol?
2,2-difluoro-3-(oxan-3-yl)propan-1-ol has a molecular weight of 180.19 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(oxan-3-yl)propan-1-ol is sourced from PubChem (CID 105438580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).