2,4,4,4-tetrafluorobutan-1-ol

C4H6F4O — CID 10080528

IUPAC2,4,4,4-tetrafluorobutan-1-ol
SMILESOCC(F)CC(F)(F)F
InChIInChI=1S/C4H6F4O/c5-3(2-9)1-4(6,7)8/h3,9H,1-2H2
InChIKeyNPVJWHGCIWRZAU-UHFFFAOYSA-N
MW146.08 g/mol
LogP1.27
Rot. Bonds2

About 2,4,4,4-tetrafluorobutan-1-ol

2,4,4,4-tetrafluorobutan-1-ol (PubChem CID 10080528) has the molecular formula C4H6F4O and a molecular weight of 146.08 g/mol. Its IUPAC name is 2,4,4,4-tetrafluorobutan-1-ol.

Molecular Properties

Compound Name2,4,4,4-tetrafluorobutan-1-ol
PubChem CID10080528
Molecular FormulaC4H6F4O
Molecular Weight146.08 g/mol
Exact Mass146.04
IUPAC Name2,4,4,4-tetrafluorobutan-1-ol
SMILESOCC(F)CC(F)(F)F
InChIInChI=1S/C4H6F4O/c5-3(2-9)1-4(6,7)8/h3,9H,1-2H2
InChIKeyNPVJWHGCIWRZAU-UHFFFAOYSA-N
XLogP1.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.08
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,4,4-tetrafluorobutan-1-ol?
The IUPAC name of 2,4,4,4-tetrafluorobutan-1-ol (CID 10080528) is 2,4,4,4-tetrafluorobutan-1-ol.
What is the SMILES notation for 2,4,4,4-tetrafluorobutan-1-ol?
The canonical SMILES for 2,4,4,4-tetrafluorobutan-1-ol is OCC(F)CC(F)(F)F.
What is the InChIKey of 2,4,4,4-tetrafluorobutan-1-ol?
The InChIKey is NPVJWHGCIWRZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F4O/c5-3(2-9)1-4(6,7)8/h3,9H,1-2H2.
What are the key properties of 2,4,4,4-tetrafluorobutan-1-ol?
2,4,4,4-tetrafluorobutan-1-ol has a molecular weight of 146.08 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,4-tetrafluorobutan-1-ol is sourced from PubChem (CID 10080528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).