2-prop-2-enyl-3-(trifluoromethoxy)benzaldehyde

C11H9F3O2 — CID 87727622

IUPAC2-prop-2-enyl-3-(trifluoromethoxy)benzaldehyde
SMILESC=CCc1c(C=O)cccc1OC(F)(F)F
InChIInChI=1S/C11H9F3O2/c1-2-4-9-8(7-15)5-3-6-10(9)16-11(12,13)14/h2-3,5-7H,1,4H2
InChIKeyCWVFFDHQEOAMME-UHFFFAOYSA-N
MW230.19 g/mol
LogP3.13
Rot. Bonds4

About 2-prop-2-enyl-3-(trifluoromethoxy)benzaldehyde

2-prop-2-enyl-3-(trifluoromethoxy)benzaldehyde (PubChem CID 87727622) has the molecular formula C11H9F3O2 and a molecular weight of 230.19 g/mol. Its IUPAC name is 2-prop-2-enyl-3-(trifluoromethoxy)benzaldehyde.

Molecular Properties

Compound Name2-prop-2-enyl-3-(trifluoromethoxy)benzaldehyde
PubChem CID87727622
Molecular FormulaC11H9F3O2
Molecular Weight230.19 g/mol
Exact Mass230.06
IUPAC Name2-prop-2-enyl-3-(trifluoromethoxy)benzaldehyde
SMILESC=CCc1c(C=O)cccc1OC(F)(F)F
InChIInChI=1S/C11H9F3O2/c1-2-4-9-8(7-15)5-3-6-10(9)16-11(12,13)14/h2-3,5-7H,1,4H2
InChIKeyCWVFFDHQEOAMME-UHFFFAOYSA-N
XLogP3.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-phenylmethoxy-2-prop-2-enylbenzaldehyde
CID 11357203
ethyl 2-[2-formyl-6-(trifluoromethoxy)phenyl]acetate
CID 170998210
2-amino-3-(trifluoromethoxy)benzaldehyde
CID 22649681
2-formyl-6-(trifluoromethoxy)benzoic acid
CID 86042749
2-formyl-6-(trifluoromethoxy)benzoyl chloride
CID 170998157
1-bromo-2-chloro-3-prop-2-enyl-4-(trifluoromethoxy)benzene
CID 174173769
2-ethyl-1-fluoro-3-(trifluoromethoxy)benzene
CID 131169258
3-ethyl-2-(trifluoromethoxy)benzaldehyde
CID 170999043
lithium;butane;2-methyl-3-(trifluoromethoxy)benzaldehyde;1-methyl-2-(trifluoromethoxy)benzene
CID 164960643
2-ethyl-3-(trifluoromethoxy)benzenethiol
CID 170999052
1,3-dimethoxy-2-prop-2-enylbenzene
CID 3014232
2-cyclopropyl-1-ethenyl-3-(trifluoromethoxy)benzene
CID 118269282

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-3-(trifluoromethoxy)benzaldehyde?
The IUPAC name of 2-prop-2-enyl-3-(trifluoromethoxy)benzaldehyde (CID 87727622) is 2-prop-2-enyl-3-(trifluoromethoxy)benzaldehyde.
What is the SMILES notation for 2-prop-2-enyl-3-(trifluoromethoxy)benzaldehyde?
The canonical SMILES for 2-prop-2-enyl-3-(trifluoromethoxy)benzaldehyde is C=CCc1c(C=O)cccc1OC(F)(F)F.
What is the InChIKey of 2-prop-2-enyl-3-(trifluoromethoxy)benzaldehyde?
The InChIKey is CWVFFDHQEOAMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3O2/c1-2-4-9-8(7-15)5-3-6-10(9)16-11(12,13)14/h2-3,5-7H,1,4H2.
What are the key properties of 2-prop-2-enyl-3-(trifluoromethoxy)benzaldehyde?
2-prop-2-enyl-3-(trifluoromethoxy)benzaldehyde has a molecular weight of 230.19 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-3-(trifluoromethoxy)benzaldehyde is sourced from PubChem (CID 87727622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).