1,3-bis(3,3,3-trifluoroprop-1-en-2-yl)benzene

C12H8F6 — CID 150115521

IUPAC1,3-bis(3,3,3-trifluoroprop-1-en-2-yl)benzene
SMILESC=C(c1cccc(C(=C)C(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C12H8F6/c1-7(11(13,14)15)9-4-3-5-10(6-9)8(2)12(16,17)18/h3-6H,1-2H2
InChIKeyDYDVUAOLJUKSBH-UHFFFAOYSA-N
MW266.18 g/mol
LogP4.84
Rot. Bonds2

About 1,3-bis(3,3,3-trifluoroprop-1-en-2-yl)benzene

1,3-bis(3,3,3-trifluoroprop-1-en-2-yl)benzene (PubChem CID 150115521) has the molecular formula C12H8F6 and a molecular weight of 266.18 g/mol. Its IUPAC name is 1,3-bis(3,3,3-trifluoroprop-1-en-2-yl)benzene.

Molecular Properties

Compound Name1,3-bis(3,3,3-trifluoroprop-1-en-2-yl)benzene
PubChem CID150115521
Molecular FormulaC12H8F6
Molecular Weight266.18 g/mol
Exact Mass266.05
IUPAC Name1,3-bis(3,3,3-trifluoroprop-1-en-2-yl)benzene
SMILESC=C(c1cccc(C(=C)C(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C12H8F6/c1-7(11(13,14)15)9-4-3-5-10(6-9)8(2)12(16,17)18/h3-6H,1-2H2
InChIKeyDYDVUAOLJUKSBH-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-iodo-3-(3,3,3-trifluoroprop-1-en-2-yl)benzene
CID 162348211
[3-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanamine
CID 130564880
4-(3,3,3-trifluoroprop-1-en-2-yl)phenol
CID 58177606
1,3-dichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene
CID 161498560
5-(3,3,3-trifluoroprop-1-en-2-yl)-1,3-benzodioxole
CID 12032060
3-(1-fluoroethenyl)benzoic acid
CID 67591917
2,6-dichloro-4-(3,3,3-trifluoroprop-1-en-2-yl)pyridine
CID 86664620
[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanol
CID 166445243
benzene-1,3-dicarboxylic acid;formaldehyde
CID 159467147
1-(1,1-difluoroethyl)-3-prop-1-en-2-ylbenzene
CID 134569595
3-(3-chlorophenyl)-2-methylbut-3-en-2-ol
CID 135085879
1,3-bis(but-1-en-2-yl)benzene
CID 19692093

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3,3,3-trifluoroprop-1-en-2-yl)benzene?
The IUPAC name of 1,3-bis(3,3,3-trifluoroprop-1-en-2-yl)benzene (CID 150115521) is 1,3-bis(3,3,3-trifluoroprop-1-en-2-yl)benzene.
What is the SMILES notation for 1,3-bis(3,3,3-trifluoroprop-1-en-2-yl)benzene?
The canonical SMILES for 1,3-bis(3,3,3-trifluoroprop-1-en-2-yl)benzene is C=C(c1cccc(C(=C)C(F)(F)F)c1)C(F)(F)F.
What is the InChIKey of 1,3-bis(3,3,3-trifluoroprop-1-en-2-yl)benzene?
The InChIKey is DYDVUAOLJUKSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F6/c1-7(11(13,14)15)9-4-3-5-10(6-9)8(2)12(16,17)18/h3-6H,1-2H2.
What are the key properties of 1,3-bis(3,3,3-trifluoroprop-1-en-2-yl)benzene?
1,3-bis(3,3,3-trifluoroprop-1-en-2-yl)benzene has a molecular weight of 266.18 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3,3,3-trifluoroprop-1-en-2-yl)benzene is sourced from PubChem (CID 150115521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).