1,1,1-trifluorohexane-2,4-diol;hydrochloride

C6H12ClF3O2 — CID 174612779

IUPAC1,1,1-trifluorohexane-2,4-diol;hydrochloride
SMILESCCC(O)CC(O)C(F)(F)F.Cl
InChIInChI=1S/C6H11F3O2.ClH/c1-2-4(10)3-5(11)6(7,8)9;/h4-5,10-11H,2-3H2,1H3;1H
InChIKeyHLZLUSLYNCWAPT-UHFFFAOYSA-N
MW208.61 g/mol
LogP1.49
Rot. Bonds3

About 1,1,1-trifluorohexane-2,4-diol;hydrochloride

1,1,1-trifluorohexane-2,4-diol;hydrochloride (PubChem CID 174612779) has the molecular formula C6H12ClF3O2 and a molecular weight of 208.61 g/mol. Its IUPAC name is 1,1,1-trifluorohexane-2,4-diol;hydrochloride.

Molecular Properties

Compound Name1,1,1-trifluorohexane-2,4-diol;hydrochloride
PubChem CID174612779
Molecular FormulaC6H12ClF3O2
Molecular Weight208.61 g/mol
Exact Mass208.05
IUPAC Name1,1,1-trifluorohexane-2,4-diol;hydrochloride
SMILESCCC(O)CC(O)C(F)(F)F.Cl
InChIInChI=1S/C6H11F3O2.ClH/c1-2-4(10)3-5(11)6(7,8)9;/h4-5,10-11H,2-3H2,1H3;1H
InChIKeyHLZLUSLYNCWAPT-UHFFFAOYSA-N
XLogP1.49
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.61
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-1,1,1,5,5,5-hexafluoropentane-2,4-diol
CID 135017833
tris(1,1,1,5,5,5-hexafluoropentane-2,4-diol);zinc
CID 5231417
(3R,5R)-heptane-3,5-diol
CID 12641368
(3S,5R,8R,10S)-dodecane-3,5,8,10-tetrol
CID 59068921
pentan-3-ol;dihydrochloride
CID 141116397
5,5-dimethylhexane-2,4-diol;6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-diol;heptane-3,5-diol;2,2,6,6-tetramethylheptane-3,5-diol;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol
CID 158677473
(2R)-1,1,1-trifluoropentan-2-ol
CID 13299815
1,1,1-trifluoro-4,5,5-trimethylhexan-2-ol
CID 155261760
pentan-3-ol
CID 11428
1,1,1-trifluoro-4-propan-2-ylhexane-2,5-diol
CID 79423648
5,5,6,6,6-pentafluorohexan-3-ol
CID 154388893
tetradecane-3,6,9,12-tetrol
CID 57081340

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluorohexane-2,4-diol;hydrochloride?
The IUPAC name of 1,1,1-trifluorohexane-2,4-diol;hydrochloride (CID 174612779) is 1,1,1-trifluorohexane-2,4-diol;hydrochloride.
What is the SMILES notation for 1,1,1-trifluorohexane-2,4-diol;hydrochloride?
The canonical SMILES for 1,1,1-trifluorohexane-2,4-diol;hydrochloride is CCC(O)CC(O)C(F)(F)F.Cl.
What is the InChIKey of 1,1,1-trifluorohexane-2,4-diol;hydrochloride?
The InChIKey is HLZLUSLYNCWAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O2.ClH/c1-2-4(10)3-5(11)6(7,8)9;/h4-5,10-11H,2-3H2,1H3;1H.
What are the key properties of 1,1,1-trifluorohexane-2,4-diol;hydrochloride?
1,1,1-trifluorohexane-2,4-diol;hydrochloride has a molecular weight of 208.61 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluorohexane-2,4-diol;hydrochloride is sourced from PubChem (CID 174612779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).