1-(2-cyclopropylethoxy)-3,3-difluorobutan-2-ol

C9H16F2O2 — CID 163885920

IUPAC1-(2-cyclopropylethoxy)-3,3-difluorobutan-2-ol
SMILESCC(F)(F)C(O)COCCC1CC1
InChIInChI=1S/C9H16F2O2/c1-9(10,11)8(12)6-13-5-4-7-2-3-7/h7-8,12H,2-6H2,1H3
InChIKeyXDQWEIVYHLNALN-UHFFFAOYSA-N
MW194.22 g/mol
LogP1.82
Rot. Bonds6

About 1-(2-cyclopropylethoxy)-3,3-difluorobutan-2-ol

1-(2-cyclopropylethoxy)-3,3-difluorobutan-2-ol (PubChem CID 163885920) has the molecular formula C9H16F2O2 and a molecular weight of 194.22 g/mol. Its IUPAC name is 1-(2-cyclopropylethoxy)-3,3-difluorobutan-2-ol.

Molecular Properties

Compound Name1-(2-cyclopropylethoxy)-3,3-difluorobutan-2-ol
PubChem CID163885920
Molecular FormulaC9H16F2O2
Molecular Weight194.22 g/mol
Exact Mass194.11
IUPAC Name1-(2-cyclopropylethoxy)-3,3-difluorobutan-2-ol
SMILESCC(F)(F)C(O)COCCC1CC1
InChIInChI=1S/C9H16F2O2/c1-9(10,11)8(12)6-13-5-4-7-2-3-7/h7-8,12H,2-6H2,1H3
InChIKeyXDQWEIVYHLNALN-UHFFFAOYSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,3-difluoro-1-[2-(oxan-4-yl)ethoxy]butan-2-ol
CID 163727602
(2S)-1-(2-cyclopropylethoxy)propan-2-ol
CID 106203926
1-(2-cyclopropylethoxy)propan-2-amine
CID 106200486
(2S)-1-(2-cyclobutylethoxy)propan-2-ol
CID 106204019
3-(2-cyclopropylethoxy)-2-methylpropan-1-amine
CID 106203362
ethyl 2-amino-3-(2-cyclopropylethoxy)propanoate
CID 106204429
2-[2-(bromomethyl)butoxy]ethylcyclopropane
CID 106201198
1-cyclohexyl-3,3-difluorobutan-2-ol
CID 131122835
3-(2-cyclopropylethoxy)-2-(propylamino)propan-1-ol
CID 106206742
3-(2-cyclopropylethoxy)-2-ethoxypropan-1-amine
CID 106200247
methyl 3-(2-cyclopropylethoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 174865051
1-(2-pyrrolidin-3-ylethoxy)propan-2-ol
CID 106939109

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylethoxy)-3,3-difluorobutan-2-ol?
The IUPAC name of 1-(2-cyclopropylethoxy)-3,3-difluorobutan-2-ol (CID 163885920) is 1-(2-cyclopropylethoxy)-3,3-difluorobutan-2-ol.
What is the SMILES notation for 1-(2-cyclopropylethoxy)-3,3-difluorobutan-2-ol?
The canonical SMILES for 1-(2-cyclopropylethoxy)-3,3-difluorobutan-2-ol is CC(F)(F)C(O)COCCC1CC1.
What is the InChIKey of 1-(2-cyclopropylethoxy)-3,3-difluorobutan-2-ol?
The InChIKey is XDQWEIVYHLNALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O2/c1-9(10,11)8(12)6-13-5-4-7-2-3-7/h7-8,12H,2-6H2,1H3.
What are the key properties of 1-(2-cyclopropylethoxy)-3,3-difluorobutan-2-ol?
1-(2-cyclopropylethoxy)-3,3-difluorobutan-2-ol has a molecular weight of 194.22 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylethoxy)-3,3-difluorobutan-2-ol is sourced from PubChem (CID 163885920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).