1-(2,2-difluoroethoxy)propan-2-ol

C5H10F2O2 — CID 82006687

IUPAC1-(2,2-difluoroethoxy)propan-2-ol
SMILESCC(O)COCC(F)F
InChIInChI=1S/C5H10F2O2/c1-4(8)2-9-3-5(6)7/h4-5,8H,2-3H2,1H3
InChIKeyHMCGBCWSLRAKEL-UHFFFAOYSA-N
MW140.13 g/mol
LogP0.65
Rot. Bonds4

About 1-(2,2-difluoroethoxy)propan-2-ol

1-(2,2-difluoroethoxy)propan-2-ol (PubChem CID 82006687) has the molecular formula C5H10F2O2 and a molecular weight of 140.13 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)propan-2-ol
PubChem CID82006687
Molecular FormulaC5H10F2O2
Molecular Weight140.13 g/mol
Exact Mass140.06
IUPAC Name1-(2,2-difluoroethoxy)propan-2-ol
SMILESCC(O)COCC(F)F
InChIInChI=1S/C5H10F2O2/c1-4(8)2-9-3-5(6)7/h4-5,8H,2-3H2,1H3
InChIKeyHMCGBCWSLRAKEL-UHFFFAOYSA-N
XLogP0.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.13
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[(2S)-2-hydroxypropoxy]propan-2-ol
CID 6950271
1-(1-hydroxypropoxy)propan-1-ol;1-(2-hydroxypropoxy)propan-2-ol
CID 57483531
1-(2-hydroxyethoxy)propan-2-ol
CID 19360868
3-(2,2-difluoroethoxy)-N,2-dimethylpropan-1-amine
CID 103075035
1-(2,2-difluoroethoxy)pentan-3-ol
CID 103147788
1-(2,2-difluoroethoxy)-3-(2-fluoroethoxy)propan-2-ol
CID 154623550
3-(2-hydroxypropoxy)propane-1,1-diol
CID 88599165
1-ethoxypropan-2-ol;N-methylmethanamine
CID 88607316
1-[2-(1-phosphanyloxypropan-2-yloxy)propoxy]propan-2-ol
CID 59288646
1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol
CID 86587580
1-(2-aminoethoxy)propan-2-ol;hydrochloride
CID 86645518
(2S)-1-butoxypropan-2-ol
CID 54289557

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)propan-2-ol?
The IUPAC name of 1-(2,2-difluoroethoxy)propan-2-ol (CID 82006687) is 1-(2,2-difluoroethoxy)propan-2-ol.
What is the SMILES notation for 1-(2,2-difluoroethoxy)propan-2-ol?
The canonical SMILES for 1-(2,2-difluoroethoxy)propan-2-ol is CC(O)COCC(F)F.
What is the InChIKey of 1-(2,2-difluoroethoxy)propan-2-ol?
The InChIKey is HMCGBCWSLRAKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2O2/c1-4(8)2-9-3-5(6)7/h4-5,8H,2-3H2,1H3.
What are the key properties of 1-(2,2-difluoroethoxy)propan-2-ol?
1-(2,2-difluoroethoxy)propan-2-ol has a molecular weight of 140.13 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)propan-2-ol is sourced from PubChem (CID 82006687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).