1,1,1,7,7,7-hexafluoro-2,2,6-trimethyl-4-(trifluoromethyl)heptan-4-ol

C11H15F9O — CID 58743433

IUPAC1,1,1,7,7,7-hexafluoro-2,2,6-trimethyl-4-(trifluoromethyl)heptan-4-ol
SMILESCC(CC(O)(CC(C)(C)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H15F9O/c1-6(9(12,13)14)4-8(21,11(18,19)20)5-7(2,3)10(15,16)17/h6,21H,4-5H2,1-3H3
InChIKeyMBXXDVGWVPFYIV-UHFFFAOYSA-N
MW334.22 g/mol
LogP4.85
Rot. Bonds4

About 1,1,1,7,7,7-hexafluoro-2,2,6-trimethyl-4-(trifluoromethyl)heptan-4-ol

1,1,1,7,7,7-hexafluoro-2,2,6-trimethyl-4-(trifluoromethyl)heptan-4-ol (PubChem CID 58743433) has the molecular formula C11H15F9O and a molecular weight of 334.22 g/mol. Its IUPAC name is 1,1,1,7,7,7-hexafluoro-2,2,6-trimethyl-4-(trifluoromethyl)heptan-4-ol.

Molecular Properties

Compound Name1,1,1,7,7,7-hexafluoro-2,2,6-trimethyl-4-(trifluoromethyl)heptan-4-ol
PubChem CID58743433
Molecular FormulaC11H15F9O
Molecular Weight334.22 g/mol
Exact Mass334.10
IUPAC Name1,1,1,7,7,7-hexafluoro-2,2,6-trimethyl-4-(trifluoromethyl)heptan-4-ol
SMILESCC(CC(O)(CC(C)(C)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H15F9O/c1-6(9(12,13)14)4-8(21,11(18,19)20)5-7(2,3)10(15,16)17/h6,21H,4-5H2,1-3H3
InChIKeyMBXXDVGWVPFYIV-UHFFFAOYSA-N
XLogP4.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1,1,7,7,7-hexafluoro-2,2,6-trimethyl-4-(trifluoromethyl)heptan-4-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 1,1,1,7,7,7-hexafluoro-2,2,6-trimethyl-4-(trifluoromethyl)heptan-4-ol?
The IUPAC name of 1,1,1,7,7,7-hexafluoro-2,2,6-trimethyl-4-(trifluoromethyl)heptan-4-ol (CID 58743433) is 1,1,1,7,7,7-hexafluoro-2,2,6-trimethyl-4-(trifluoromethyl)heptan-4-ol.
What is the SMILES notation for 1,1,1,7,7,7-hexafluoro-2,2,6-trimethyl-4-(trifluoromethyl)heptan-4-ol?
The canonical SMILES for 1,1,1,7,7,7-hexafluoro-2,2,6-trimethyl-4-(trifluoromethyl)heptan-4-ol is CC(CC(O)(CC(C)(C)C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,7,7,7-hexafluoro-2,2,6-trimethyl-4-(trifluoromethyl)heptan-4-ol?
The InChIKey is MBXXDVGWVPFYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F9O/c1-6(9(12,13)14)4-8(21,11(18,19)20)5-7(2,3)10(15,16)17/h6,21H,4-5H2,1-3H3.
What are the key properties of 1,1,1,7,7,7-hexafluoro-2,2,6-trimethyl-4-(trifluoromethyl)heptan-4-ol?
1,1,1,7,7,7-hexafluoro-2,2,6-trimethyl-4-(trifluoromethyl)heptan-4-ol has a molecular weight of 334.22 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,7,7,7-hexafluoro-2,2,6-trimethyl-4-(trifluoromethyl)heptan-4-ol is sourced from PubChem (CID 58743433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).