1,1,1-trifluoro-4-methyl-2,2-bis(trifluoromethyl)pentan-3-ol

C8H9F9O — CID 23262389

IUPAC1,1,1-trifluoro-4-methyl-2,2-bis(trifluoromethyl)pentan-3-ol
SMILESCC(C)C(O)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H9F9O/c1-3(2)4(18)5(6(9,10)11,7(12,13)14)8(15,16)17/h3-4,18H,1-2H3
InChIKeyPPPMERHXVQERGQ-UHFFFAOYSA-N
MW292.14 g/mol
LogP3.68
Rot. Bonds2

About 1,1,1-trifluoro-4-methyl-2,2-bis(trifluoromethyl)pentan-3-ol

1,1,1-trifluoro-4-methyl-2,2-bis(trifluoromethyl)pentan-3-ol (PubChem CID 23262389) has the molecular formula C8H9F9O and a molecular weight of 292.14 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-methyl-2,2-bis(trifluoromethyl)pentan-3-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-4-methyl-2,2-bis(trifluoromethyl)pentan-3-ol
PubChem CID23262389
Molecular FormulaC8H9F9O
Molecular Weight292.14 g/mol
Exact Mass292.05
IUPAC Name1,1,1-trifluoro-4-methyl-2,2-bis(trifluoromethyl)pentan-3-ol
SMILESCC(C)C(O)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H9F9O/c1-3(2)4(18)5(6(9,10)11,7(12,13)14)8(15,16)17/h3-4,18H,1-2H3
InChIKeyPPPMERHXVQERGQ-UHFFFAOYSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1,1-trifluoro-4-methyl-2,2-bis(trifluoromethyl)pentan-3-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-trifluoro-4-methyl-2,2-bis(trifluoromethyl)pentan-3-ol?
The IUPAC name of 1,1,1-trifluoro-4-methyl-2,2-bis(trifluoromethyl)pentan-3-ol (CID 23262389) is 1,1,1-trifluoro-4-methyl-2,2-bis(trifluoromethyl)pentan-3-ol.
What is the SMILES notation for 1,1,1-trifluoro-4-methyl-2,2-bis(trifluoromethyl)pentan-3-ol?
The canonical SMILES for 1,1,1-trifluoro-4-methyl-2,2-bis(trifluoromethyl)pentan-3-ol is CC(C)C(O)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-methyl-2,2-bis(trifluoromethyl)pentan-3-ol?
The InChIKey is PPPMERHXVQERGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F9O/c1-3(2)4(18)5(6(9,10)11,7(12,13)14)8(15,16)17/h3-4,18H,1-2H3.
What are the key properties of 1,1,1-trifluoro-4-methyl-2,2-bis(trifluoromethyl)pentan-3-ol?
1,1,1-trifluoro-4-methyl-2,2-bis(trifluoromethyl)pentan-3-ol has a molecular weight of 292.14 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-methyl-2,2-bis(trifluoromethyl)pentan-3-ol is sourced from PubChem (CID 23262389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).