1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-ol

C5H2F10O — CID 18769259

IUPAC1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-ol
SMILESOC(C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H2F10O/c6-2(4(10,11)12,5(13,14)15)1(16)3(7,8)9/h1,16H
InChIKeyMAXJKGHWRLTGDW-UHFFFAOYSA-N
MW268.05 g/mol
LogP2.74
Rot. Bonds1

About 1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-ol

1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-ol (PubChem CID 18769259) has the molecular formula C5H2F10O and a molecular weight of 268.05 g/mol. Its IUPAC name is 1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-ol.

Molecular Properties

Compound Name1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-ol
PubChem CID18769259
Molecular FormulaC5H2F10O
Molecular Weight268.05 g/mol
Exact Mass267.99
IUPAC Name1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-ol
SMILESOC(C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H2F10O/c6-2(4(10,11)12,5(13,14)15)1(16)3(7,8)9/h1,16H
InChIKeyMAXJKGHWRLTGDW-UHFFFAOYSA-N
XLogP2.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.05
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-ol?
The IUPAC name of 1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-ol (CID 18769259) is 1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-ol.
What is the SMILES notation for 1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-ol?
The canonical SMILES for 1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-ol is OC(C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-ol?
The InChIKey is MAXJKGHWRLTGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F10O/c6-2(4(10,11)12,5(13,14)15)1(16)3(7,8)9/h1,16H.
What are the key properties of 1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-ol?
1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-ol has a molecular weight of 268.05 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-ol is sourced from PubChem (CID 18769259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).