1,2,4-trifluoro-5-prop-2-enoxybenzene

C9H7F3O — CID 130724512

IUPAC1,2,4-trifluoro-5-prop-2-enoxybenzene
SMILESC=CCOc1cc(F)c(F)cc1F
InChIInChI=1S/C9H7F3O/c1-2-3-13-9-5-7(11)6(10)4-8(9)12/h2,4-5H,1,3H2
InChIKeyDMPIJJYBGPGLAI-UHFFFAOYSA-N
MW188.15 g/mol
LogP2.67
Rot. Bonds3

About 1,2,4-trifluoro-5-prop-2-enoxybenzene

1,2,4-trifluoro-5-prop-2-enoxybenzene (PubChem CID 130724512) has the molecular formula C9H7F3O and a molecular weight of 188.15 g/mol. Its IUPAC name is 1,2,4-trifluoro-5-prop-2-enoxybenzene.

Molecular Properties

Compound Name1,2,4-trifluoro-5-prop-2-enoxybenzene
PubChem CID130724512
Molecular FormulaC9H7F3O
Molecular Weight188.15 g/mol
Exact Mass188.04
IUPAC Name1,2,4-trifluoro-5-prop-2-enoxybenzene
SMILESC=CCOc1cc(F)c(F)cc1F
InChIInChI=1S/C9H7F3O/c1-2-3-13-9-5-7(11)6(10)4-8(9)12/h2,4-5H,1,3H2
InChIKeyDMPIJJYBGPGLAI-UHFFFAOYSA-N
XLogP2.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.15
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-3-prop-2-enoxyphenol
CID 11159544
4-(bromomethyl)-2-fluoro-1-prop-2-enoxybenzene
CID 67198367
(4-fluoro-3-prop-2-enoxyphenyl)boronic acid
CID 114674576
N-[(4-fluoro-3-prop-2-enoxyphenyl)methyl]thiohydroxylamine
CID 142399866
methyl 4-fluoro-3-prop-2-enoxybenzoate
CID 67441936
1-(3-bromopropoxy)-2,4,5-trifluorobenzene
CID 10890898
1,4-diethoxy-2,5-difluorobenzene
CID 58718970
4-(4-fluoro-3-prop-2-enoxyphenoxy)benzaldehyde
CID 11403025
(4-fluoro-2-prop-2-enoxyphenyl)methanol
CID 67448374
2-fluoro-5-prop-2-enoxybenzaldehyde
CID 155393023
5-[(E)-but-2-enoxy]-2,4-difluoroaniline
CID 131235553
3,4,5-trifluoro-2-nitrophenol;1,2,3-trifluoro-4-nitro-5-prop-2-enoxybenzene
CID 158101511

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trifluoro-5-prop-2-enoxybenzene?
The IUPAC name of 1,2,4-trifluoro-5-prop-2-enoxybenzene (CID 130724512) is 1,2,4-trifluoro-5-prop-2-enoxybenzene.
What is the SMILES notation for 1,2,4-trifluoro-5-prop-2-enoxybenzene?
The canonical SMILES for 1,2,4-trifluoro-5-prop-2-enoxybenzene is C=CCOc1cc(F)c(F)cc1F.
What is the InChIKey of 1,2,4-trifluoro-5-prop-2-enoxybenzene?
The InChIKey is DMPIJJYBGPGLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O/c1-2-3-13-9-5-7(11)6(10)4-8(9)12/h2,4-5H,1,3H2.
What are the key properties of 1,2,4-trifluoro-5-prop-2-enoxybenzene?
1,2,4-trifluoro-5-prop-2-enoxybenzene has a molecular weight of 188.15 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trifluoro-5-prop-2-enoxybenzene is sourced from PubChem (CID 130724512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).