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

C7H10F6O — CID 71695628

IUPAC4,4,4-trifluoro-2-methyl-2-(2,2,2-trifluoroethyl)butan-1-ol
SMILESCC(CO)(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C7H10F6O/c1-5(4-14,2-6(8,9)10)3-7(11,12)13/h14H,2-4H2,1H3
InChIKeyQGISQGYDBLLMFT-UHFFFAOYSA-N
MW224.14 g/mol
LogP2.89
Rot. Bonds3

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

4,4,4-trifluoro-2-methyl-2-(2,2,2-trifluoroethyl)butan-1-ol (PubChem CID 71695628) has the molecular formula C7H10F6O and a molecular weight of 224.14 g/mol. Its IUPAC name is 4,4,4-trifluoro-2-methyl-2-(2,2,2-trifluoroethyl)butan-1-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-2-methyl-2-(2,2,2-trifluoroethyl)butan-1-ol
PubChem CID71695628
Molecular FormulaC7H10F6O
Molecular Weight224.14 g/mol
Exact Mass224.06
IUPAC Name4,4,4-trifluoro-2-methyl-2-(2,2,2-trifluoroethyl)butan-1-ol
SMILESCC(CO)(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C7H10F6O/c1-5(4-14,2-6(8,9)10)3-7(11,12)13/h14H,2-4H2,1H3
InChIKeyQGISQGYDBLLMFT-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,4,4-Trifluoro-3,3-bis(trifluoromethyl)-1-butanol
CID 2782627
4,4,4-Trifluoro-3,3-dimethylbutan-1-ol
CID 118496722
1-[1-(Trifluoromethyl)cyclopropyl]ethan-1-ol
CID 121310065
2-(Difluoromethyl)-2-methylbutan-1-ol
CID 129071005
[1-(2,2-Difluoroethyl)cyclopropyl]methanol
CID 137374560
2-Ethyl-4,4,4-trifluorobutan-1-ol
CID 86001735
3,3-Difluoro-4,4-dimethylpentan-1-ol
CID 105429698
2-Ethyl-2-(trifluoromethyl)butan-1-ol
CID 122163203
3,3-Difluoro-2,2-dimethylpentan-1-ol
CID 122163823
[1-(2,2,2-Trifluoroethyl)cyclopropyl]methanol
CID 130819654
4,4-Difluoro-3,3-dimethylpentan-1-ol
CID 132351107
2-Ethyl-3,3-difluorobutan-1-ol
CID 139023981

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-2-methyl-2-(2,2,2-trifluoroethyl)butan-1-ol?
The IUPAC name of 4,4,4-trifluoro-2-methyl-2-(2,2,2-trifluoroethyl)butan-1-ol (CID 71695628) is 4,4,4-trifluoro-2-methyl-2-(2,2,2-trifluoroethyl)butan-1-ol.
What is the SMILES notation for 4,4,4-trifluoro-2-methyl-2-(2,2,2-trifluoroethyl)butan-1-ol?
The canonical SMILES for 4,4,4-trifluoro-2-methyl-2-(2,2,2-trifluoroethyl)butan-1-ol is CC(CO)(CC(F)(F)F)CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-2-methyl-2-(2,2,2-trifluoroethyl)butan-1-ol?
The InChIKey is QGISQGYDBLLMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6O/c1-5(4-14,2-6(8,9)10)3-7(11,12)13/h14H,2-4H2,1H3.
What are the key properties of 4,4,4-trifluoro-2-methyl-2-(2,2,2-trifluoroethyl)butan-1-ol?
4,4,4-trifluoro-2-methyl-2-(2,2,2-trifluoroethyl)butan-1-ol has a molecular weight of 224.14 g/mol, XLogP of 2.89, 3 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-methyl-2-(2,2,2-trifluoroethyl)butan-1-ol is sourced from PubChem (CID 71695628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).