1,1,1-trifluoro-3,3-dimethylhex-5-en-2-ol

C8H13F3O — CID 11401144

IUPAC1,1,1-trifluoro-3,3-dimethylhex-5-en-2-ol
SMILESC=CCC(C)(C)C(O)C(F)(F)F
InChIInChI=1S/C8H13F3O/c1-4-5-7(2,3)6(12)8(9,10)11/h4,6,12H,1,5H2,2-3H3
InChIKeyPCQGVGPGRJWFCX-UHFFFAOYSA-N
MW182.18 g/mol
LogP2.51
Rot. Bonds3

About 1,1,1-trifluoro-3,3-dimethylhex-5-en-2-ol

1,1,1-trifluoro-3,3-dimethylhex-5-en-2-ol (PubChem CID 11401144) has the molecular formula C8H13F3O and a molecular weight of 182.18 g/mol. Its IUPAC name is 1,1,1-trifluoro-3,3-dimethylhex-5-en-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3,3-dimethylhex-5-en-2-ol
PubChem CID11401144
Molecular FormulaC8H13F3O
Molecular Weight182.18 g/mol
Exact Mass182.09
IUPAC Name1,1,1-trifluoro-3,3-dimethylhex-5-en-2-ol
SMILESC=CCC(C)(C)C(O)C(F)(F)F
InChIInChI=1S/C8H13F3O/c1-4-5-7(2,3)6(12)8(9,10)11/h4,6,12H,1,5H2,2-3H3
InChIKeyPCQGVGPGRJWFCX-UHFFFAOYSA-N
XLogP2.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,4,5,5-Tetrafluoro-2,2-dimethylhept-6-en-3-ol
CID 101778191
1,1,1-Trifluoro-5,5-dimethyloct-7-en-2-yn-4-ol
CID 135023914
(3S)-4,4-difluoro-2,2-dimethylhex-5-en-3-ol
CID 177849829
3-Ethenyl-1,1,1,5,6,6-hexafluorohex-5-en-2-ol
CID 57588726
2-Methyl-2-(trifluoromethyl)hex-5-en-1-ol
CID 59378110
4,5,5-Trifluoro-2-(prop-2-EN-1-YL)pent-4-EN-1-OL
CID 71416305
3-Methyl-3-(trifluoromethyl)pent-4-en-1-ol
CID 86637790
(1R)-6-methyl-6-(trifluoromethyl)cyclohex-3-en-1-ol
CID 130321753
1-[1-(Trifluoromethyl)cyclopropyl]prop-2-en-1-ol
CID 134398721
1-Fluoro-2,2-bis(fluoromethyl)hex-5-en-3-ol
CID 141050099
1-(1-But-1-enylcyclohexa-2,4-dien-1-yl)-2,2,2-trifluoroethanol
CID 141900924
(2R)-1,1,1-trifluoro-4,4-dimethylhex-5-en-2-ol
CID 155378097

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3,3-dimethylhex-5-en-2-ol?
The IUPAC name of 1,1,1-trifluoro-3,3-dimethylhex-5-en-2-ol (CID 11401144) is 1,1,1-trifluoro-3,3-dimethylhex-5-en-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3,3-dimethylhex-5-en-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3,3-dimethylhex-5-en-2-ol is C=CCC(C)(C)C(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3,3-dimethylhex-5-en-2-ol?
The InChIKey is PCQGVGPGRJWFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O/c1-4-5-7(2,3)6(12)8(9,10)11/h4,6,12H,1,5H2,2-3H3.
What are the key properties of 1,1,1-trifluoro-3,3-dimethylhex-5-en-2-ol?
1,1,1-trifluoro-3,3-dimethylhex-5-en-2-ol has a molecular weight of 182.18 g/mol, XLogP of 2.51, 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-3,3-dimethylhex-5-en-2-ol is sourced from PubChem (CID 11401144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).