2-(2,2,2-trifluoroethyl)pent-4-en-1-ol

C7H11F3O — CID 121208203

IUPAC2-(2,2,2-trifluoroethyl)pent-4-en-1-ol
SMILESC=CCC(CO)CC(F)(F)F
InChIInChI=1S/C7H11F3O/c1-2-3-6(5-11)4-7(8,9)10/h2,6,11H,1,3-5H2
InChIKeyMVTBZXYUONJMKG-UHFFFAOYSA-N
MW168.16 g/mol
LogP2.12
Rot. Bonds4

About 2-(2,2,2-trifluoroethyl)pent-4-en-1-ol

2-(2,2,2-trifluoroethyl)pent-4-en-1-ol (PubChem CID 121208203) has the molecular formula C7H11F3O and a molecular weight of 168.16 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethyl)pent-4-en-1-ol.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethyl)pent-4-en-1-ol
PubChem CID121208203
Molecular FormulaC7H11F3O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Name2-(2,2,2-trifluoroethyl)pent-4-en-1-ol
SMILESC=CCC(CO)CC(F)(F)F
InChIInChI=1S/C7H11F3O/c1-2-3-6(5-11)4-7(8,9)10/h2,6,11H,1,3-5H2
InChIKeyMVTBZXYUONJMKG-UHFFFAOYSA-N
XLogP2.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 52.12
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-(2,2,2-trifluoroethyl)pent-4-en-1-ol?
The IUPAC name of 2-(2,2,2-trifluoroethyl)pent-4-en-1-ol (CID 121208203) is 2-(2,2,2-trifluoroethyl)pent-4-en-1-ol.
What is the SMILES notation for 2-(2,2,2-trifluoroethyl)pent-4-en-1-ol?
The canonical SMILES for 2-(2,2,2-trifluoroethyl)pent-4-en-1-ol is C=CCC(CO)CC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethyl)pent-4-en-1-ol?
The InChIKey is MVTBZXYUONJMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O/c1-2-3-6(5-11)4-7(8,9)10/h2,6,11H,1,3-5H2.
What are the key properties of 2-(2,2,2-trifluoroethyl)pent-4-en-1-ol?
2-(2,2,2-trifluoroethyl)pent-4-en-1-ol has a molecular weight of 168.16 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethyl)pent-4-en-1-ol is sourced from PubChem (CID 121208203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).