1,1,1-trifluoro-3-methylpent-4-en-2-ol

C6H9F3O — CID 13262958

IUPAC1,1,1-trifluoro-3-methylpent-4-en-2-ol
SMILESC=CC(C)C(O)C(F)(F)F
InChIInChI=1S/C6H9F3O/c1-3-4(2)5(10)6(7,8)9/h3-5,10H,1H2,2H3
InChIKeyHVQKCDAVFUSNNY-UHFFFAOYSA-N
MW154.13 g/mol
LogP1.73
Rot. Bonds2

About 1,1,1-trifluoro-3-methylpent-4-en-2-ol

1,1,1-trifluoro-3-methylpent-4-en-2-ol (PubChem CID 13262958) has the molecular formula C6H9F3O and a molecular weight of 154.13 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-methylpent-4-en-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-methylpent-4-en-2-ol
PubChem CID13262958
Molecular FormulaC6H9F3O
Molecular Weight154.13 g/mol
Exact Mass154.06
IUPAC Name1,1,1-trifluoro-3-methylpent-4-en-2-ol
SMILESC=CC(C)C(O)C(F)(F)F
InChIInChI=1S/C6H9F3O/c1-3-4(2)5(10)6(7,8)9/h3-5,10H,1H2,2H3
InChIKeyHVQKCDAVFUSNNY-UHFFFAOYSA-N
XLogP1.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 51.73
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

5,5,5-Trifluoropent-1-en-4-ol
CID 10909642
3-Methyl-4-penten-2-ol
CID 544701
(2r,3r)-3-Methylpent-4-en-2-ol
CID 11309480
(2S,3R)-3-methylpent-4-en-2-ol
CID 12420332
4-Penten-2-ol, 3-methyl-, (2S,3S)-
CID 12420333
(2R,3S)-3-Methylpent-4-en-2-ol
CID 11263475
5,5-Difluoropent-4-en-2-ol
CID 12051374
3,3-Difluoropent-4-en-2-ol
CID 54489576
3-Ethenyl-1,1,1,5,6,6-hexafluorohex-5-en-2-ol
CID 57588726
1,1,1-Trifluorohex-5-en-3-ol
CID 61392880
1,1-Difluoropent-4-en-2-ol
CID 85800474
3-Fluoropent-4-en-2-ol
CID 87206554

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-methylpent-4-en-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-methylpent-4-en-2-ol (CID 13262958) is 1,1,1-trifluoro-3-methylpent-4-en-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-methylpent-4-en-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-methylpent-4-en-2-ol is C=CC(C)C(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-methylpent-4-en-2-ol?
The InChIKey is HVQKCDAVFUSNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O/c1-3-4(2)5(10)6(7,8)9/h3-5,10H,1H2,2H3.
What are the key properties of 1,1,1-trifluoro-3-methylpent-4-en-2-ol?
1,1,1-trifluoro-3-methylpent-4-en-2-ol has a molecular weight of 154.13 g/mol, XLogP of 1.73, 2 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-methylpent-4-en-2-ol is sourced from PubChem (CID 13262958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).