1,1,1-trifluoro-3-(trifluoromethyl)hexan-2-ol

C7H10F6O — CID 21344867

IUPAC1,1,1-trifluoro-3-(trifluoromethyl)hexan-2-ol
SMILESCCCC(C(O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6O/c1-2-3-4(6(8,9)10)5(14)7(11,12)13/h4-5,14H,2-3H2,1H3
InChIKeySFAKNFULKUDHON-UHFFFAOYSA-N
MW224.14 g/mol
LogP2.89
Rot. Bonds3

About 1,1,1-trifluoro-3-(trifluoromethyl)hexan-2-ol

1,1,1-trifluoro-3-(trifluoromethyl)hexan-2-ol (PubChem CID 21344867) has the molecular formula C7H10F6O and a molecular weight of 224.14 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(trifluoromethyl)hexan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(trifluoromethyl)hexan-2-ol
PubChem CID21344867
Molecular FormulaC7H10F6O
Molecular Weight224.14 g/mol
Exact Mass224.06
IUPAC Name1,1,1-trifluoro-3-(trifluoromethyl)hexan-2-ol
SMILESCCCC(C(O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6O/c1-2-3-4(6(8,9)10)5(14)7(11,12)13/h4-5,14H,2-3H2,1H3
InChIKeySFAKNFULKUDHON-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 1,1,1-trifluoro-3-(trifluoromethyl)hexan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(trifluoromethyl)hexan-2-ol (CID 21344867) is 1,1,1-trifluoro-3-(trifluoromethyl)hexan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(trifluoromethyl)hexan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(trifluoromethyl)hexan-2-ol is CCCC(C(O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(trifluoromethyl)hexan-2-ol?
The InChIKey is SFAKNFULKUDHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6O/c1-2-3-4(6(8,9)10)5(14)7(11,12)13/h4-5,14H,2-3H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-(trifluoromethyl)hexan-2-ol?
1,1,1-trifluoro-3-(trifluoromethyl)hexan-2-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 1,1,1-trifluoro-3-(trifluoromethyl)hexan-2-ol is sourced from PubChem (CID 21344867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).