1-fluoro-2-(trifluoromethyl)hexan-1-ol

C7H12F4O — CID 19891369

IUPAC1-fluoro-2-(trifluoromethyl)hexan-1-ol
SMILESCCCCC(C(O)F)C(F)(F)F
InChIInChI=1S/C7H12F4O/c1-2-3-4-5(6(8)12)7(9,10)11/h5-6,12H,2-4H2,1H3
InChIKeyARUZXEKAVMCORI-UHFFFAOYSA-N
MW188.16 g/mol
LogP2.64
Rot. Bonds4

About 1-fluoro-2-(trifluoromethyl)hexan-1-ol

1-fluoro-2-(trifluoromethyl)hexan-1-ol (PubChem CID 19891369) has the molecular formula C7H12F4O and a molecular weight of 188.16 g/mol. Its IUPAC name is 1-fluoro-2-(trifluoromethyl)hexan-1-ol.

Molecular Properties

Compound Name1-fluoro-2-(trifluoromethyl)hexan-1-ol
PubChem CID19891369
Molecular FormulaC7H12F4O
Molecular Weight188.16 g/mol
Exact Mass188.08
IUPAC Name1-fluoro-2-(trifluoromethyl)hexan-1-ol
SMILESCCCCC(C(O)F)C(F)(F)F
InChIInChI=1S/C7H12F4O/c1-2-3-4-5(6(8)12)7(9,10)11/h5-6,12H,2-4H2,1H3
InChIKeyARUZXEKAVMCORI-UHFFFAOYSA-N
XLogP2.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
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-fluoro-2-(trifluoromethyl)hexan-1-ol?
The IUPAC name of 1-fluoro-2-(trifluoromethyl)hexan-1-ol (CID 19891369) is 1-fluoro-2-(trifluoromethyl)hexan-1-ol.
What is the SMILES notation for 1-fluoro-2-(trifluoromethyl)hexan-1-ol?
The canonical SMILES for 1-fluoro-2-(trifluoromethyl)hexan-1-ol is CCCCC(C(O)F)C(F)(F)F.
What is the InChIKey of 1-fluoro-2-(trifluoromethyl)hexan-1-ol?
The InChIKey is ARUZXEKAVMCORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F4O/c1-2-3-4-5(6(8)12)7(9,10)11/h5-6,12H,2-4H2,1H3.
What are the key properties of 1-fluoro-2-(trifluoromethyl)hexan-1-ol?
1-fluoro-2-(trifluoromethyl)hexan-1-ol has a molecular weight of 188.16 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(trifluoromethyl)hexan-1-ol is sourced from PubChem (CID 19891369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).