5,5,5-trifluoro-4-methyl-4-(trifluoromethyl)pentan-1-ol

C7H10F6O — CID 58225250

IUPAC5,5,5-trifluoro-4-methyl-4-(trifluoromethyl)pentan-1-ol
SMILESCC(CCCO)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6O/c1-5(3-2-4-14,6(8,9)10)7(11,12)13/h14H,2-4H2,1H3
InChIKeyVKKNNHLLIGJKDH-UHFFFAOYSA-N
MW224.14 g/mol
LogP2.89
Rot. Bonds3

About 5,5,5-trifluoro-4-methyl-4-(trifluoromethyl)pentan-1-ol

5,5,5-trifluoro-4-methyl-4-(trifluoromethyl)pentan-1-ol (PubChem CID 58225250) has the molecular formula C7H10F6O and a molecular weight of 224.14 g/mol. Its IUPAC name is 5,5,5-trifluoro-4-methyl-4-(trifluoromethyl)pentan-1-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-4-methyl-4-(trifluoromethyl)pentan-1-ol
PubChem CID58225250
Molecular FormulaC7H10F6O
Molecular Weight224.14 g/mol
Exact Mass224.06
IUPAC Name5,5,5-trifluoro-4-methyl-4-(trifluoromethyl)pentan-1-ol
SMILESCC(CCCO)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6O/c1-5(3-2-4-14,6(8,9)10)7(11,12)13/h14H,2-4H2,1H3
InChIKeyVKKNNHLLIGJKDH-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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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-4-methyl-4-(trifluoromethyl)pentan-1-ol?
The IUPAC name of 5,5,5-trifluoro-4-methyl-4-(trifluoromethyl)pentan-1-ol (CID 58225250) is 5,5,5-trifluoro-4-methyl-4-(trifluoromethyl)pentan-1-ol.
What is the SMILES notation for 5,5,5-trifluoro-4-methyl-4-(trifluoromethyl)pentan-1-ol?
The canonical SMILES for 5,5,5-trifluoro-4-methyl-4-(trifluoromethyl)pentan-1-ol is CC(CCCO)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-4-methyl-4-(trifluoromethyl)pentan-1-ol?
The InChIKey is VKKNNHLLIGJKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6O/c1-5(3-2-4-14,6(8,9)10)7(11,12)13/h14H,2-4H2,1H3.
What are the key properties of 5,5,5-trifluoro-4-methyl-4-(trifluoromethyl)pentan-1-ol?
5,5,5-trifluoro-4-methyl-4-(trifluoromethyl)pentan-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 5,5,5-trifluoro-4-methyl-4-(trifluoromethyl)pentan-1-ol is sourced from PubChem (CID 58225250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).