1,1,1-trifluoro-2-(trifluoromethyl)hex-5-en-3-ol

C7H8F6O — CID 103312444

IUPAC1,1,1-trifluoro-2-(trifluoromethyl)hex-5-en-3-ol
SMILESC=CCC(O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H8F6O/c1-2-3-4(14)5(6(8,9)10)7(11,12)13/h2,4-5,14H,1,3H2
InChIKeyGKSKFOYPOFIAMQ-UHFFFAOYSA-N
MW222.13 g/mol
LogP2.66
Rot. Bonds3

About 1,1,1-trifluoro-2-(trifluoromethyl)hex-5-en-3-ol

1,1,1-trifluoro-2-(trifluoromethyl)hex-5-en-3-ol (PubChem CID 103312444) has the molecular formula C7H8F6O and a molecular weight of 222.13 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(trifluoromethyl)hex-5-en-3-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(trifluoromethyl)hex-5-en-3-ol
PubChem CID103312444
Molecular FormulaC7H8F6O
Molecular Weight222.13 g/mol
Exact Mass222.05
IUPAC Name1,1,1-trifluoro-2-(trifluoromethyl)hex-5-en-3-ol
SMILESC=CCC(O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H8F6O/c1-2-3-4(14)5(6(8,9)10)7(11,12)13/h2,4-5,14H,1,3H2
InChIKeyGKSKFOYPOFIAMQ-UHFFFAOYSA-N
XLogP2.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.13
LogP ≤ 52.66
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

2-Methyl-5-hexen-3-ol
CID 141746
4-Methyl-5-hexen-3-ol
CID 12496406
(3R,4S)-4-methylhex-5-en-3-ol
CID 11789173
rel-(3R,4R)-4-Methyl-5-hexen-3-ol
CID 12496407
(3S,4R)-4-methylhex-5-en-3-ol
CID 12496408
(3S)-2-methylhex-5-en-3-ol
CID 7020357
(3R)-2-methylhex-5-en-3-ol
CID 7567311
(3S,4S)-4-methylhex-5-en-3-ol
CID 12496409
1,1,1-Trifluoro-3-methylpent-4-en-2-ol
CID 13262958
1,1,1-Trifluoro-3-(2,3,3-trifluoroprop-2-enyl)hept-6-en-2-ol
CID 57588703
4-Ethenyl-1,1,1,6,7,7-hexafluorohept-6-en-2-ol
CID 57588710
3-Ethenyl-1,1,1,5,6,6-hexafluorohex-5-en-2-ol
CID 57588726

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(trifluoromethyl)hex-5-en-3-ol?
The IUPAC name of 1,1,1-trifluoro-2-(trifluoromethyl)hex-5-en-3-ol (CID 103312444) is 1,1,1-trifluoro-2-(trifluoromethyl)hex-5-en-3-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(trifluoromethyl)hex-5-en-3-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(trifluoromethyl)hex-5-en-3-ol is C=CCC(O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(trifluoromethyl)hex-5-en-3-ol?
The InChIKey is GKSKFOYPOFIAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F6O/c1-2-3-4(14)5(6(8,9)10)7(11,12)13/h2,4-5,14H,1,3H2.
What are the key properties of 1,1,1-trifluoro-2-(trifluoromethyl)hex-5-en-3-ol?
1,1,1-trifluoro-2-(trifluoromethyl)hex-5-en-3-ol has a molecular weight of 222.13 g/mol, XLogP of 2.66, 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-2-(trifluoromethyl)hex-5-en-3-ol is sourced from PubChem (CID 103312444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).