2,2,2-trifluoroethyl 2,3-bis(ethenyl)naphthalene-1-carboxylate

C17H13F3O2 — CID 151561325

IUPAC2,2,2-trifluoroethyl 2,3-bis(ethenyl)naphthalene-1-carboxylate
SMILESC=Cc1cc2ccccc2c(C(=O)OCC(F)(F)F)c1C=C
InChIInChI=1S/C17H13F3O2/c1-3-11-9-12-7-5-6-8-14(12)15(13(11)4-2)16(21)22-10-17(18,19)20/h3-9H,1-2,10H2
InChIKeyQCNHKPJCVLZJSV-UHFFFAOYSA-N
MW306.28 g/mol
LogP4.84
Rot. Bonds4

About 2,2,2-trifluoroethyl 2,3-bis(ethenyl)naphthalene-1-carboxylate

2,2,2-trifluoroethyl 2,3-bis(ethenyl)naphthalene-1-carboxylate (PubChem CID 151561325) has the molecular formula C17H13F3O2 and a molecular weight of 306.28 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 2,3-bis(ethenyl)naphthalene-1-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 2,3-bis(ethenyl)naphthalene-1-carboxylate
PubChem CID151561325
Molecular FormulaC17H13F3O2
Molecular Weight306.28 g/mol
Exact Mass306.09
IUPAC Name2,2,2-trifluoroethyl 2,3-bis(ethenyl)naphthalene-1-carboxylate
SMILESC=Cc1cc2ccccc2c(C(=O)OCC(F)(F)F)c1C=C
InChIInChI=1S/C17H13F3O2/c1-3-11-9-12-7-5-6-8-14(12)15(13(11)4-2)16(21)22-10-17(18,19)20/h3-9H,1-2,10H2
InChIKeyQCNHKPJCVLZJSV-UHFFFAOYSA-N
XLogP4.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-ethenylnaphthalene-2-carbonyl)oxy-1,1-difluoroethanesulfonic acid
CID 59283776
(2-hydroxy-3-prop-2-enoyloxypropyl) anthracene-9-carboxylate
CID 54261077
2,2,2-trifluoroethyl 2,6-difluorobenzoate
CID 22149750
2,3-bis(ethenyl)-1-propylnaphthalene
CID 143956206
bis(prop-2-enyl) 2-methylnaphthalene-1,3-dicarboxylate
CID 53236040
1-ethenyl-2-[3-ethenyl-4-(trifluoromethyl)phenyl]naphthalene
CID 162548364
methyl 2,3-bis(ethenyl)naphthalene-1-sulfonate
CID 150256268
methyl 3-cyano-2-ethenylnaphthalene-1-carboxylate;methyl 3-cyano-2-(trifluoromethylsulfonyloxy)naphthalene-1-carboxylate
CID 157098552
anthracen-9-ylmethyl anthracene-9-carboxylate
CID 59653644
2-(2-ethenylbenzoyl)oxy-1,1-difluoroethanesulfonate
CID 59283783
bis(prop-2-enyl) naphthalene-1,2-dicarboxylate
CID 19710369
phenacyl anthracene-9-carboxylate
CID 3297262

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 2,3-bis(ethenyl)naphthalene-1-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 2,3-bis(ethenyl)naphthalene-1-carboxylate (CID 151561325) is 2,2,2-trifluoroethyl 2,3-bis(ethenyl)naphthalene-1-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 2,3-bis(ethenyl)naphthalene-1-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 2,3-bis(ethenyl)naphthalene-1-carboxylate is C=Cc1cc2ccccc2c(C(=O)OCC(F)(F)F)c1C=C.
What is the InChIKey of 2,2,2-trifluoroethyl 2,3-bis(ethenyl)naphthalene-1-carboxylate?
The InChIKey is QCNHKPJCVLZJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3O2/c1-3-11-9-12-7-5-6-8-14(12)15(13(11)4-2)16(21)22-10-17(18,19)20/h3-9H,1-2,10H2.
What are the key properties of 2,2,2-trifluoroethyl 2,3-bis(ethenyl)naphthalene-1-carboxylate?
2,2,2-trifluoroethyl 2,3-bis(ethenyl)naphthalene-1-carboxylate has a molecular weight of 306.28 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 2,3-bis(ethenyl)naphthalene-1-carboxylate is sourced from PubChem (CID 151561325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).