2-(trifluoromethyl)pent-1-en-3-ol

C6H9F3O — CID 130564617

IUPAC2-(trifluoromethyl)pent-1-en-3-ol
SMILESC=C(C(O)CC)C(F)(F)F
InChIInChI=1S/C6H9F3O/c1-3-5(10)4(2)6(7,8)9/h5,10H,2-3H2,1H3
InChIKeyLGNDOXGNACTPOA-UHFFFAOYSA-N
MW154.13 g/mol
LogP1.88
Rot. Bonds2

About 2-(trifluoromethyl)pent-1-en-3-ol

2-(trifluoromethyl)pent-1-en-3-ol (PubChem CID 130564617) has the molecular formula C6H9F3O and a molecular weight of 154.13 g/mol. Its IUPAC name is 2-(trifluoromethyl)pent-1-en-3-ol.

Molecular Properties

Compound Name2-(trifluoromethyl)pent-1-en-3-ol
PubChem CID130564617
Molecular FormulaC6H9F3O
Molecular Weight154.13 g/mol
Exact Mass154.06
IUPAC Name2-(trifluoromethyl)pent-1-en-3-ol
SMILESC=C(C(O)CC)C(F)(F)F
InChIInChI=1S/C6H9F3O/c1-3-5(10)4(2)6(7,8)9/h5,10H,2-3H2,1H3
InChIKeyLGNDOXGNACTPOA-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)pent-1-en-3-ol?
The IUPAC name of 2-(trifluoromethyl)pent-1-en-3-ol (CID 130564617) is 2-(trifluoromethyl)pent-1-en-3-ol.
What is the SMILES notation for 2-(trifluoromethyl)pent-1-en-3-ol?
The canonical SMILES for 2-(trifluoromethyl)pent-1-en-3-ol is C=C(C(O)CC)C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)pent-1-en-3-ol?
The InChIKey is LGNDOXGNACTPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O/c1-3-5(10)4(2)6(7,8)9/h5,10H,2-3H2,1H3.
What are the key properties of 2-(trifluoromethyl)pent-1-en-3-ol?
2-(trifluoromethyl)pent-1-en-3-ol has a molecular weight of 154.13 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)pent-1-en-3-ol is sourced from PubChem (CID 130564617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).