2,3,4,5,5,5-hexafluoro-4-methyl-2-(trifluoromethyl)pentan-1-ol

C7H7F9O — CID 87159224

IUPAC2,3,4,5,5,5-hexafluoro-4-methyl-2-(trifluoromethyl)pentan-1-ol
SMILESCC(F)(C(F)C(F)(CO)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F9O/c1-4(9,6(11,12)13)3(8)5(10,2-17)7(14,15)16/h3,17H,2H2,1H3
InChIKeySPCRURDXKBIPOT-UHFFFAOYSA-N
MW278.11 g/mol
LogP2.88
Rot. Bonds3

About 2,3,4,5,5,5-hexafluoro-4-methyl-2-(trifluoromethyl)pentan-1-ol

2,3,4,5,5,5-hexafluoro-4-methyl-2-(trifluoromethyl)pentan-1-ol (PubChem CID 87159224) has the molecular formula C7H7F9O and a molecular weight of 278.11 g/mol. Its IUPAC name is 2,3,4,5,5,5-hexafluoro-4-methyl-2-(trifluoromethyl)pentan-1-ol.

Molecular Properties

Compound Name2,3,4,5,5,5-hexafluoro-4-methyl-2-(trifluoromethyl)pentan-1-ol
PubChem CID87159224
Molecular FormulaC7H7F9O
Molecular Weight278.11 g/mol
Exact Mass278.04
IUPAC Name2,3,4,5,5,5-hexafluoro-4-methyl-2-(trifluoromethyl)pentan-1-ol
SMILESCC(F)(C(F)C(F)(CO)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F9O/c1-4(9,6(11,12)13)3(8)5(10,2-17)7(14,15)16/h3,17H,2H2,1H3
InChIKeySPCRURDXKBIPOT-UHFFFAOYSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,5,5-hexafluoro-4-methyl-2-(trifluoromethyl)pentan-1-ol?
The IUPAC name of 2,3,4,5,5,5-hexafluoro-4-methyl-2-(trifluoromethyl)pentan-1-ol (CID 87159224) is 2,3,4,5,5,5-hexafluoro-4-methyl-2-(trifluoromethyl)pentan-1-ol.
What is the SMILES notation for 2,3,4,5,5,5-hexafluoro-4-methyl-2-(trifluoromethyl)pentan-1-ol?
The canonical SMILES for 2,3,4,5,5,5-hexafluoro-4-methyl-2-(trifluoromethyl)pentan-1-ol is CC(F)(C(F)C(F)(CO)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,3,4,5,5,5-hexafluoro-4-methyl-2-(trifluoromethyl)pentan-1-ol?
The InChIKey is SPCRURDXKBIPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F9O/c1-4(9,6(11,12)13)3(8)5(10,2-17)7(14,15)16/h3,17H,2H2,1H3.
What are the key properties of 2,3,4,5,5,5-hexafluoro-4-methyl-2-(trifluoromethyl)pentan-1-ol?
2,3,4,5,5,5-hexafluoro-4-methyl-2-(trifluoromethyl)pentan-1-ol has a molecular weight of 278.11 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,5,5-hexafluoro-4-methyl-2-(trifluoromethyl)pentan-1-ol is sourced from PubChem (CID 87159224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).