1,1,2-trifluoro-3-methylhexan-1-ol

C7H13F3O — CID 89339704

IUPAC1,1,2-trifluoro-3-methylhexan-1-ol
SMILESCCCC(C)C(F)C(O)(F)F
InChIInChI=1S/C7H13F3O/c1-3-4-5(2)6(8)7(9,10)11/h5-6,11H,3-4H2,1-2H3
InChIKeyZTFSCFKDMHKVMV-UHFFFAOYSA-N
MW170.17 g/mol
LogP2.35
Rot. Bonds4

About 1,1,2-trifluoro-3-methylhexan-1-ol

1,1,2-trifluoro-3-methylhexan-1-ol (PubChem CID 89339704) has the molecular formula C7H13F3O and a molecular weight of 170.17 g/mol. Its IUPAC name is 1,1,2-trifluoro-3-methylhexan-1-ol.

Molecular Properties

Compound Name1,1,2-trifluoro-3-methylhexan-1-ol
PubChem CID89339704
Molecular FormulaC7H13F3O
Molecular Weight170.17 g/mol
Exact Mass170.09
IUPAC Name1,1,2-trifluoro-3-methylhexan-1-ol
SMILESCCCC(C)C(F)C(O)(F)F
InChIInChI=1S/C7H13F3O/c1-3-4-5(2)6(8)7(9,10)11/h5-6,11H,3-4H2,1-2H3
InChIKeyZTFSCFKDMHKVMV-UHFFFAOYSA-N
XLogP2.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-2,2,4-trimethylheptane
CID 123271530
(2S,3R)-2-fluoro-3-methylhexane
CID 142291573
1,1,2-trifluorohexan-1-ol
CID 142765310
1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13-tetracosafluorohexadecane-1,1-diol
CID 141306811
(2R)-3-methylhexan-2-ol
CID 88692749
3-fluoro-2,4-dimethylhept-1-ene
CID 145493748
3-dodecoxy-1,1,2-trifluorobutan-1-ol
CID 88524929
1,2,2,3,3,4-hexafluoroheptane-1,1-diol
CID 141036292
3-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-ol
CID 107893094
(3R)-3,4-dimethylheptane
CID 59819300
2-methyl-1-sulfanylpentan-1-ol
CID 154061587
(2R)-1,1,1-trifluoropentan-2-ol
CID 13299815

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoro-3-methylhexan-1-ol?
The IUPAC name of 1,1,2-trifluoro-3-methylhexan-1-ol (CID 89339704) is 1,1,2-trifluoro-3-methylhexan-1-ol.
What is the SMILES notation for 1,1,2-trifluoro-3-methylhexan-1-ol?
The canonical SMILES for 1,1,2-trifluoro-3-methylhexan-1-ol is CCCC(C)C(F)C(O)(F)F.
What is the InChIKey of 1,1,2-trifluoro-3-methylhexan-1-ol?
The InChIKey is ZTFSCFKDMHKVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3O/c1-3-4-5(2)6(8)7(9,10)11/h5-6,11H,3-4H2,1-2H3.
What are the key properties of 1,1,2-trifluoro-3-methylhexan-1-ol?
1,1,2-trifluoro-3-methylhexan-1-ol has a molecular weight of 170.17 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-3-methylhexan-1-ol is sourced from PubChem (CID 89339704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).