4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butan-1-ol

C8H9F9O — CID 58275087

IUPAC4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butan-1-ol
SMILESOCC(CC(F)(F)F)(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C8H9F9O/c9-6(10,11)1-5(4-18,2-7(12,13)14)3-8(15,16)17/h18H,1-4H2
InChIKeyRVOCRGZWHVWGOW-UHFFFAOYSA-N
MW292.14 g/mol
LogP3.82
Rot. Bonds4

About 4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butan-1-ol

4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butan-1-ol (PubChem CID 58275087) has the molecular formula C8H9F9O and a molecular weight of 292.14 g/mol. Its IUPAC name is 4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butan-1-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butan-1-ol
PubChem CID58275087
Molecular FormulaC8H9F9O
Molecular Weight292.14 g/mol
Exact Mass292.05
IUPAC Name4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butan-1-ol
SMILESOCC(CC(F)(F)F)(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C8H9F9O/c9-6(10,11)1-5(4-18,2-7(12,13)14)3-8(15,16)17/h18H,1-4H2
InChIKeyRVOCRGZWHVWGOW-UHFFFAOYSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

4,4,4-Trifluoro-3,3-bis(trifluoromethyl)-1-butanol
CID 2782627
[1-(2,2-Difluoroethyl)cyclopropyl]methanol
CID 137374560
2-Ethyl-2-(trifluoromethyl)butan-1-ol
CID 122163203
[1-(2,2,2-Trifluoroethyl)cyclopropyl]methanol
CID 130819654
4,4-Difluoro-3,3-dimethylpentan-1-ol
CID 132351107
2-Ethyl-3,3-difluoro-2-methylbutan-1-ol
CID 57852807
2-Ethyl-3,3,5,5,5-pentafluoro-2-(trifluoromethyl)pentan-1-ol
CID 59672067
4,4,4-Trifluoro-2-methyl-2-(2,2,2-trifluoroethyl)butan-1-ol
CID 71695628
4,4,4-Trifluoro-2-(2,2,2-trifluoroethyl)butan-1-ol
CID 86001839
4,4,5,5,6,6,6-Heptafluoro-3,3-bis(trifluoromethyl)hexan-1-ol
CID 86179549
3,3-Difluoro-2-methyl-2-(trifluoromethyl)butan-1-ol
CID 87318220
2-Tert-butyl-3,3-dimethyl-2-(trifluoromethyl)butan-1-ol
CID 87318427

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butan-1-ol?
The IUPAC name of 4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butan-1-ol (CID 58275087) is 4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butan-1-ol.
What is the SMILES notation for 4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butan-1-ol?
The canonical SMILES for 4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butan-1-ol is OCC(CC(F)(F)F)(CC(F)(F)F)CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butan-1-ol?
The InChIKey is RVOCRGZWHVWGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F9O/c9-6(10,11)1-5(4-18,2-7(12,13)14)3-8(15,16)17/h18H,1-4H2.
What are the key properties of 4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butan-1-ol?
4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butan-1-ol has a molecular weight of 292.14 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butan-1-ol is sourced from PubChem (CID 58275087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).