5-(2,4,5-trifluorophenyl)pent-4-en-2-ol

C11H11F3O — CID 67120113

IUPAC5-(2,4,5-trifluorophenyl)pent-4-en-2-ol
SMILESCC(O)CC=Cc1cc(F)c(F)cc1F
InChIInChI=1S/C11H11F3O/c1-7(15)3-2-4-8-5-10(13)11(14)6-9(8)12/h2,4-7,15H,3H2,1H3
InChIKeyXVCAUIJAQHLRRX-UHFFFAOYSA-N
MW216.20 g/mol
LogP2.89
Rot. Bonds3

About 5-(2,4,5-trifluorophenyl)pent-4-en-2-ol

5-(2,4,5-trifluorophenyl)pent-4-en-2-ol (PubChem CID 67120113) has the molecular formula C11H11F3O and a molecular weight of 216.20 g/mol. Its IUPAC name is 5-(2,4,5-trifluorophenyl)pent-4-en-2-ol.

Molecular Properties

Compound Name5-(2,4,5-trifluorophenyl)pent-4-en-2-ol
PubChem CID67120113
Molecular FormulaC11H11F3O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name5-(2,4,5-trifluorophenyl)pent-4-en-2-ol
SMILESCC(O)CC=Cc1cc(F)c(F)cc1F
InChIInChI=1S/C11H11F3O/c1-7(15)3-2-4-8-5-10(13)11(14)6-9(8)12/h2,4-7,15H,3H2,1H3
InChIKeyXVCAUIJAQHLRRX-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(E)-4-(2,4,5-trifluorophenyl)but-3-enal
CID 118296236
4-(2,4,5-trifluorophenyl)but-3-en-1-amine
CID 170486760
(E)-3-(2,4-difluoro-5-propan-2-ylphenyl)prop-2-en-1-amine
CID 117301557
4-(2,4,5-trifluorophenyl)but-3-ene-1-thiol
CID 170478114
4-(2,4,5-trifluorophenyl)but-3-enenitrile
CID 170799476
1-fluoro-2-[(Z)-4-methylpent-1-enyl]benzene
CID 84820301
(E)-3-(2,5-difluoro-4-methylsulfanylphenyl)prop-2-en-1-amine
CID 117306899
(E,2S)-5-(3-ethylphenyl)pent-4-en-2-ol
CID 89151097
(E)-4-(4-bromo-2-fluorophenyl)but-3-en-2-ol
CID 103971130
methyl 3-(2,4,5-trifluorophenyl)prop-2-enoate
CID 131865158
4-(4-bromobut-1-enyl)-2,5-difluorobenzaldehyde
CID 170497757
(E,3R)-6-(4-chloro-2-fluorophenyl)-3-methoxyhex-5-en-2-one
CID 177204728

Frequently Asked Questions

What is the IUPAC name of 5-(2,4,5-trifluorophenyl)pent-4-en-2-ol?
The IUPAC name of 5-(2,4,5-trifluorophenyl)pent-4-en-2-ol (CID 67120113) is 5-(2,4,5-trifluorophenyl)pent-4-en-2-ol.
What is the SMILES notation for 5-(2,4,5-trifluorophenyl)pent-4-en-2-ol?
The canonical SMILES for 5-(2,4,5-trifluorophenyl)pent-4-en-2-ol is CC(O)CC=Cc1cc(F)c(F)cc1F.
What is the InChIKey of 5-(2,4,5-trifluorophenyl)pent-4-en-2-ol?
The InChIKey is XVCAUIJAQHLRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O/c1-7(15)3-2-4-8-5-10(13)11(14)6-9(8)12/h2,4-7,15H,3H2,1H3.
What are the key properties of 5-(2,4,5-trifluorophenyl)pent-4-en-2-ol?
5-(2,4,5-trifluorophenyl)pent-4-en-2-ol has a molecular weight of 216.20 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4,5-trifluorophenyl)pent-4-en-2-ol is sourced from PubChem (CID 67120113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).