2-ethyl-4,4,4-trifluorobutan-1-ol

C6H11F3O — CID 86001735

IUPAC2-ethyl-4,4,4-trifluorobutan-1-ol
SMILESCCC(CO)CC(F)(F)F
InChIInChI=1S/C6H11F3O/c1-2-5(4-10)3-6(7,8)9/h5,10H,2-4H2,1H3
InChIKeyJBWIHPRWPZNPMP-UHFFFAOYSA-N
MW156.15 g/mol
LogP1.96
Rot. Bonds3

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

2-ethyl-4,4,4-trifluorobutan-1-ol (PubChem CID 86001735) has the molecular formula C6H11F3O and a molecular weight of 156.15 g/mol. Its IUPAC name is 2-ethyl-4,4,4-trifluorobutan-1-ol.

Molecular Properties

Compound Name2-ethyl-4,4,4-trifluorobutan-1-ol
PubChem CID86001735
Molecular FormulaC6H11F3O
Molecular Weight156.15 g/mol
Exact Mass156.08
IUPAC Name2-ethyl-4,4,4-trifluorobutan-1-ol
SMILESCCC(CO)CC(F)(F)F
InChIInChI=1S/C6H11F3O/c1-2-5(4-10)3-6(7,8)9/h5,10H,2-4H2,1H3
InChIKeyJBWIHPRWPZNPMP-UHFFFAOYSA-N
XLogP1.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,4,4-trifluorobutan-1-ol?
The IUPAC name of 2-ethyl-4,4,4-trifluorobutan-1-ol (CID 86001735) is 2-ethyl-4,4,4-trifluorobutan-1-ol.
What is the SMILES notation for 2-ethyl-4,4,4-trifluorobutan-1-ol?
The canonical SMILES for 2-ethyl-4,4,4-trifluorobutan-1-ol is CCC(CO)CC(F)(F)F.
What is the InChIKey of 2-ethyl-4,4,4-trifluorobutan-1-ol?
The InChIKey is JBWIHPRWPZNPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O/c1-2-5(4-10)3-6(7,8)9/h5,10H,2-4H2,1H3.
What are the key properties of 2-ethyl-4,4,4-trifluorobutan-1-ol?
2-ethyl-4,4,4-trifluorobutan-1-ol has a molecular weight of 156.15 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,4,4-trifluorobutan-1-ol is sourced from PubChem (CID 86001735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).