phenyl 2-(trifluoromethyl)prop-2-enoate

C10H7F3O2 — CID 11413270

IUPACphenyl 2-(trifluoromethyl)prop-2-enoate
SMILESC=C(C(=O)Oc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H7F3O2/c1-7(10(11,12)13)9(14)15-8-5-3-2-4-6-8/h2-6H,1H2
InChIKeyGCHPMXKVAQDBRC-UHFFFAOYSA-N
MW216.16 g/mol
LogP2.71
Rot. Bonds2

About phenyl 2-(trifluoromethyl)prop-2-enoate

phenyl 2-(trifluoromethyl)prop-2-enoate (PubChem CID 11413270) has the molecular formula C10H7F3O2 and a molecular weight of 216.16 g/mol. Its IUPAC name is phenyl 2-(trifluoromethyl)prop-2-enoate.

Molecular Properties

Compound Namephenyl 2-(trifluoromethyl)prop-2-enoate
PubChem CID11413270
Molecular FormulaC10H7F3O2
Molecular Weight216.16 g/mol
Exact Mass216.04
IUPAC Namephenyl 2-(trifluoromethyl)prop-2-enoate
SMILESC=C(C(=O)Oc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H7F3O2/c1-7(10(11,12)13)9(14)15-8-5-3-2-4-6-8/h2-6H,1H2
InChIKeyGCHPMXKVAQDBRC-UHFFFAOYSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

phenyl 3,3-dichloro-2-methylidenebutanoate
CID 19901659
(2-fluorophenyl) 2-(trifluoromethyl)prop-2-enoate
CID 91452013
phenyl 2-phenoxyprop-2-enoate
CID 141223374
phenyl 2,3-dichloro-4,4,4-trifluorobut-2-enoate
CID 154352337
[1,6,8-tris[2-(trifluoromethyl)prop-2-enoyloxy]phenanthren-3-yl] 2-(trifluoromethyl)prop-2-enoate
CID 118017195
phenyl 2-iodoprop-2-enoate
CID 71551534
3-phenoxycarbonylbut-3-enoic acid
CID 23499954
triphenylsilyl 2-(trifluoromethyl)prop-2-enoate
CID 163794375
diphenyl oxalate;ethane
CID 162013592
2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate
CID 69302463
1-O-(2-fluoro-2-methylpropyl) 2-O-phenyl oxalate
CID 138664640
phenyl 2-fluoro-3,3-dimethylbutanoate
CID 139826816

Frequently Asked Questions

What is the IUPAC name of phenyl 2-(trifluoromethyl)prop-2-enoate?
The IUPAC name of phenyl 2-(trifluoromethyl)prop-2-enoate (CID 11413270) is phenyl 2-(trifluoromethyl)prop-2-enoate.
What is the SMILES notation for phenyl 2-(trifluoromethyl)prop-2-enoate?
The canonical SMILES for phenyl 2-(trifluoromethyl)prop-2-enoate is C=C(C(=O)Oc1ccccc1)C(F)(F)F.
What is the InChIKey of phenyl 2-(trifluoromethyl)prop-2-enoate?
The InChIKey is GCHPMXKVAQDBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3O2/c1-7(10(11,12)13)9(14)15-8-5-3-2-4-6-8/h2-6H,1H2.
What are the key properties of phenyl 2-(trifluoromethyl)prop-2-enoate?
phenyl 2-(trifluoromethyl)prop-2-enoate has a molecular weight of 216.16 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-(trifluoromethyl)prop-2-enoate is sourced from PubChem (CID 11413270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).