1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol

C6H8F6O — CID 19788860

IUPAC1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol
SMILESCCCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6O/c1-2-3-4(13,5(7,8)9)6(10,11)12/h13H,2-3H2,1H3
InChIKeyMMNYCAKHZCJYDH-UHFFFAOYSA-N
MW210.12 g/mol
LogP2.64
Rot. Bonds2

About 1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol

1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol (PubChem CID 19788860) has the molecular formula C6H8F6O and a molecular weight of 210.12 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol
PubChem CID19788860
Molecular FormulaC6H8F6O
Molecular Weight210.12 g/mol
Exact Mass210.05
IUPAC Name1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol
SMILESCCCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6O/c1-2-3-4(13,5(7,8)9)6(10,11)12/h13H,2-3H2,1H3
InChIKeyMMNYCAKHZCJYDH-UHFFFAOYSA-N
XLogP2.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.12
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol (CID 19788860) is 1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol is CCCC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol?
The InChIKey is MMNYCAKHZCJYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6O/c1-2-3-4(13,5(7,8)9)6(10,11)12/h13H,2-3H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol?
1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol has a molecular weight of 210.12 g/mol, XLogP of 2.64, 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-2-(trifluoromethyl)pentan-2-ol is sourced from PubChem (CID 19788860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).