(3,3,3-trifluoro-2-methyl-1-phenylprop-1-enyl)benzene

C16H13F3 — CID 102368693

IUPAC(3,3,3-trifluoro-2-methyl-1-phenylprop-1-enyl)benzene
SMILESCC(=C(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H13F3/c1-12(16(17,18)19)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3
InChIKeyPUPUFGSBALBXFW-UHFFFAOYSA-N
MW262.27 g/mol
LogP5.07
Rot. Bonds2

About (3,3,3-trifluoro-2-methyl-1-phenylprop-1-enyl)benzene

(3,3,3-trifluoro-2-methyl-1-phenylprop-1-enyl)benzene (PubChem CID 102368693) has the molecular formula C16H13F3 and a molecular weight of 262.27 g/mol. Its IUPAC name is (3,3,3-trifluoro-2-methyl-1-phenylprop-1-enyl)benzene.

Molecular Properties

Compound Name(3,3,3-trifluoro-2-methyl-1-phenylprop-1-enyl)benzene
PubChem CID102368693
Molecular FormulaC16H13F3
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name(3,3,3-trifluoro-2-methyl-1-phenylprop-1-enyl)benzene
SMILESCC(=C(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H13F3/c1-12(16(17,18)19)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3
InChIKeyPUPUFGSBALBXFW-UHFFFAOYSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.27
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4,4,4-trifluoro-3-methyl-2-phenylbut-2-enamide
CID 141454955
CID 67882804
CID 67882804
phosphane;1,2,2-triphenylethenylbenzene
CID 157288563
(Z)-5,5,5-trifluoro-4-hydroxy-3-phenylpent-3-en-2-one
CID 10962887
1-phenyl-4-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)benzene
CID 166438756
(2Z)-1,1,1-trifluoro-5-methyl-3-phenylhexa-2,4-dien-2-ol
CID 132542568
ditert-butyl(1,1-diphenylprop-1-en-2-yl)phosphane
CID 12010825
dilithium;hydride;1,2,2-triphenylethenylbenzene
CID 173364079
1-(4-methylphenyl)-3,3-diphenyl-2-(trifluoromethyl)prop-2-en-1-one
CID 71363336
2,2-difluoro-1-phenylbutane-1,3-dione
CID 14793037
[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]benzene
CID 12566937
1-[4-[(E)-2-(4-acetylphenyl)-1,2-diphenylethenyl]phenyl]ethanone
CID 10669604

Frequently Asked Questions

What is the IUPAC name of (3,3,3-trifluoro-2-methyl-1-phenylprop-1-enyl)benzene?
The IUPAC name of (3,3,3-trifluoro-2-methyl-1-phenylprop-1-enyl)benzene (CID 102368693) is (3,3,3-trifluoro-2-methyl-1-phenylprop-1-enyl)benzene.
What is the SMILES notation for (3,3,3-trifluoro-2-methyl-1-phenylprop-1-enyl)benzene?
The canonical SMILES for (3,3,3-trifluoro-2-methyl-1-phenylprop-1-enyl)benzene is CC(=C(c1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of (3,3,3-trifluoro-2-methyl-1-phenylprop-1-enyl)benzene?
The InChIKey is PUPUFGSBALBXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3/c1-12(16(17,18)19)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3.
What are the key properties of (3,3,3-trifluoro-2-methyl-1-phenylprop-1-enyl)benzene?
(3,3,3-trifluoro-2-methyl-1-phenylprop-1-enyl)benzene has a molecular weight of 262.27 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3,3-trifluoro-2-methyl-1-phenylprop-1-enyl)benzene is sourced from PubChem (CID 102368693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).