2-ethyl-4,4-difluorobutan-1-ol

C6H12F2O — CID 122163520

IUPAC2-ethyl-4,4-difluorobutan-1-ol
SMILESCCC(CO)CC(F)F
InChIInChI=1S/C6H12F2O/c1-2-5(4-9)3-6(7)8/h5-6,9H,2-4H2,1H3
InChIKeyBRWNJABKAKAWGU-UHFFFAOYSA-N
MW138.16 g/mol
LogP1.66
Rot. Bonds4

About 2-ethyl-4,4-difluorobutan-1-ol

2-ethyl-4,4-difluorobutan-1-ol (PubChem CID 122163520) has the molecular formula C6H12F2O and a molecular weight of 138.16 g/mol. Its IUPAC name is 2-ethyl-4,4-difluorobutan-1-ol.

Molecular Properties

Compound Name2-ethyl-4,4-difluorobutan-1-ol
PubChem CID122163520
Molecular FormulaC6H12F2O
Molecular Weight138.16 g/mol
Exact Mass138.09
IUPAC Name2-ethyl-4,4-difluorobutan-1-ol
SMILESCCC(CO)CC(F)F
InChIInChI=1S/C6H12F2O/c1-2-5(4-9)3-6(7)8/h5-6,9H,2-4H2,1H3
InChIKeyBRWNJABKAKAWGU-UHFFFAOYSA-N
XLogP1.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.16
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Ethyl-1-butanol
CID 7358
(2S)-2-fluoro-3-methylbutan-1-ol
CID 10582748
3,3,4,5,5,5-Hexafluoro-2-methylpentan-1-ol
CID 115661
4,4,4-Trifluoro-3-methylbutan-1-ol
CID 274355
4,4,4-Trifluoro-2-methylbutan-1-ol
CID 2775532
2-Fluoro-3-methylbutan-1-ol
CID 14008486
2,2-Difluoro-3-methylbutan-1-ol
CID 57675516
3,3-Difluoro-2-methylpropan-1-ol
CID 78061721
4,4-Difluoro-2-methylbutan-1-ol
CID 121553246
4,4-Difluoro-3-methylbutan-1-ol
CID 129270061
1-Butanol, 4,4,4-trifluoro-2-methyl-, (2R)-
CID 10351792
2-Ethyl-4,4,4-trifluorobutan-1-ol
CID 86001735

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,4-difluorobutan-1-ol?
The IUPAC name of 2-ethyl-4,4-difluorobutan-1-ol (CID 122163520) is 2-ethyl-4,4-difluorobutan-1-ol.
What is the SMILES notation for 2-ethyl-4,4-difluorobutan-1-ol?
The canonical SMILES for 2-ethyl-4,4-difluorobutan-1-ol is CCC(CO)CC(F)F.
What is the InChIKey of 2-ethyl-4,4-difluorobutan-1-ol?
The InChIKey is BRWNJABKAKAWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2O/c1-2-5(4-9)3-6(7)8/h5-6,9H,2-4H2,1H3.
What are the key properties of 2-ethyl-4,4-difluorobutan-1-ol?
2-ethyl-4,4-difluorobutan-1-ol has a molecular weight of 138.16 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,4-difluorobutan-1-ol is sourced from PubChem (CID 122163520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).