2,3-bis(ethenyl)-4,4-bis(trifluoromethyl)-1H-naphthalene

C16H12F6 — CID 178176787

IUPAC2,3-bis(ethenyl)-4,4-bis(trifluoromethyl)-1H-naphthalene
SMILESC=CC1=C(C=C)C(C(F)(F)F)(C(F)(F)F)c2ccccc2C1
InChIInChI=1S/C16H12F6/c1-3-10-9-11-7-5-6-8-13(11)14(12(10)4-2,15(17,18)19)16(20,21)22/h3-8H,1-2,9H2
InChIKeyIYKPOAWXOQYZBP-UHFFFAOYSA-N
MW318.26 g/mol
LogP5.27
Rot. Bonds2

About 2,3-bis(ethenyl)-4,4-bis(trifluoromethyl)-1H-naphthalene

2,3-bis(ethenyl)-4,4-bis(trifluoromethyl)-1H-naphthalene (PubChem CID 178176787) has the molecular formula C16H12F6 and a molecular weight of 318.26 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-4,4-bis(trifluoromethyl)-1H-naphthalene.

Molecular Properties

Compound Name2,3-bis(ethenyl)-4,4-bis(trifluoromethyl)-1H-naphthalene
PubChem CID178176787
Molecular FormulaC16H12F6
Molecular Weight318.26 g/mol
Exact Mass318.08
IUPAC Name2,3-bis(ethenyl)-4,4-bis(trifluoromethyl)-1H-naphthalene
SMILESC=CC1=C(C=C)C(C(F)(F)F)(C(F)(F)F)c2ccccc2C1
InChIInChI=1S/C16H12F6/c1-3-10-9-11-7-5-6-8-13(11)14(12(10)4-2,15(17,18)19)16(20,21)22/h3-8H,1-2,9H2
InChIKeyIYKPOAWXOQYZBP-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.26
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-bis(ethenyl)-1,4-dihydronaphthalene;methane
CID 142529129
7-methyl-7-(trifluoromethyl)bicyclo[4.2.0]octa-1,3,5-triene
CID 178118507
2-ethenyl-3-ethyl-1H-indene
CID 142569795
3,3,4,4-tetrakis(prop-2-enyl)-1,2-dihydronaphthalene
CID 173371645
2-ethenyl-3-[(Z)-prop-1-enyl]-1H-indene
CID 58975510
6-[3-[6,7-bis(ethenyl)-8,9-dihydro-5H-benzo[7]annulen-2-yl]phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene;formaldehyde;dihydrate
CID 144622686
2-ethenyl-9,10-dihydroanthracene
CID 20739785
ethane;spiro[9H-anthracene-10,9'-fluorene]
CID 90717340
ethane;methane;10,10'-spirobi[9H-anthracene]
CID 157229277
[4-[9-(4-prop-2-enoyloxyphenyl)-10H-anthracen-9-yl]phenyl] prop-2-enoate
CID 140948284
3,3-dimethyl-2-methylidene-1H-indene;ethane
CID 143953753
7-ethenyl-7-methylbicyclo[4.2.0]octa-1,3,5-triene
CID 2753008

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-4,4-bis(trifluoromethyl)-1H-naphthalene?
The IUPAC name of 2,3-bis(ethenyl)-4,4-bis(trifluoromethyl)-1H-naphthalene (CID 178176787) is 2,3-bis(ethenyl)-4,4-bis(trifluoromethyl)-1H-naphthalene.
What is the SMILES notation for 2,3-bis(ethenyl)-4,4-bis(trifluoromethyl)-1H-naphthalene?
The canonical SMILES for 2,3-bis(ethenyl)-4,4-bis(trifluoromethyl)-1H-naphthalene is C=CC1=C(C=C)C(C(F)(F)F)(C(F)(F)F)c2ccccc2C1.
What is the InChIKey of 2,3-bis(ethenyl)-4,4-bis(trifluoromethyl)-1H-naphthalene?
The InChIKey is IYKPOAWXOQYZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F6/c1-3-10-9-11-7-5-6-8-13(11)14(12(10)4-2,15(17,18)19)16(20,21)22/h3-8H,1-2,9H2.
What are the key properties of 2,3-bis(ethenyl)-4,4-bis(trifluoromethyl)-1H-naphthalene?
2,3-bis(ethenyl)-4,4-bis(trifluoromethyl)-1H-naphthalene has a molecular weight of 318.26 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-4,4-bis(trifluoromethyl)-1H-naphthalene is sourced from PubChem (CID 178176787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).