2-ethenyl-6,6,6-trifluorohexan-1-ol

C8H13F3O — CID 89142084

IUPAC2-ethenyl-6,6,6-trifluorohexan-1-ol
SMILESC=CC(CO)CCCC(F)(F)F
InChIInChI=1S/C8H13F3O/c1-2-7(6-12)4-3-5-8(9,10)11/h2,7,12H,1,3-6H2
InChIKeyUXRHQBAAJSDWIL-UHFFFAOYSA-N
MW182.18 g/mol
LogP2.51
Rot. Bonds5

About 2-ethenyl-6,6,6-trifluorohexan-1-ol

2-ethenyl-6,6,6-trifluorohexan-1-ol (PubChem CID 89142084) has the molecular formula C8H13F3O and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-ethenyl-6,6,6-trifluorohexan-1-ol.

Molecular Properties

Compound Name2-ethenyl-6,6,6-trifluorohexan-1-ol
PubChem CID89142084
Molecular FormulaC8H13F3O
Molecular Weight182.18 g/mol
Exact Mass182.09
IUPAC Name2-ethenyl-6,6,6-trifluorohexan-1-ol
SMILESC=CC(CO)CCCC(F)(F)F
InChIInChI=1S/C8H13F3O/c1-2-7(6-12)4-3-5-8(9,10)11/h2,7,12H,1,3-6H2
InChIKeyUXRHQBAAJSDWIL-UHFFFAOYSA-N
XLogP2.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

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CID 177138498
6,6,6-trifluorohex-1-en-3-amine
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4-fluoro-3-(fluoromethyl)but-1-ene
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(3S)-6,6,6-trifluoro-3-propan-2-ylhex-1-ene
CID 137420305
1,1,1,9,9,9-hexafluoro-5-propan-2-ylnonane
CID 162503519
8,8,8-trifluorooct-1-ene
CID 11008282
2-ethenyl-4-methylpentan-1-ol
CID 14272515
8,8,8-trifluoro-3,3-dimethyloctan-4-ol
CID 115828379
(3R)-3-(hydroxymethyl)pent-4-enoic acid
CID 55303108
1,1,2,6,6,6-hexafluorohexane-1-thiol
CID 151631640
4,4,4-trifluorobutan-1-olate
CID 18451617
1,7,7,7-tetrafluoroheptane-1-sulfonic acid
CID 141491980

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-6,6,6-trifluorohexan-1-ol?
The IUPAC name of 2-ethenyl-6,6,6-trifluorohexan-1-ol (CID 89142084) is 2-ethenyl-6,6,6-trifluorohexan-1-ol.
What is the SMILES notation for 2-ethenyl-6,6,6-trifluorohexan-1-ol?
The canonical SMILES for 2-ethenyl-6,6,6-trifluorohexan-1-ol is C=CC(CO)CCCC(F)(F)F.
What is the InChIKey of 2-ethenyl-6,6,6-trifluorohexan-1-ol?
The InChIKey is UXRHQBAAJSDWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O/c1-2-7(6-12)4-3-5-8(9,10)11/h2,7,12H,1,3-6H2.
What are the key properties of 2-ethenyl-6,6,6-trifluorohexan-1-ol?
2-ethenyl-6,6,6-trifluorohexan-1-ol has a molecular weight of 182.18 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-6,6,6-trifluorohexan-1-ol is sourced from PubChem (CID 89142084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).