[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]benzene

C10H6F6 — CID 640491

IUPAC[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]benzene
SMILESFC(F)(F)C(=Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H6F6/c11-9(12,13)8(10(14,15)16)6-7-4-2-1-3-5-7/h1-6H
InChIKeyCLMJLXXZFCOQRB-UHFFFAOYSA-N
MW240.15 g/mol
LogP4.19
Rot. Bonds1

About [3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]benzene

[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]benzene (PubChem CID 640491) has the molecular formula C10H6F6 and a molecular weight of 240.15 g/mol. Its IUPAC name is [3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]benzene.

Molecular Properties

Compound Name[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]benzene
PubChem CID640491
Molecular FormulaC10H6F6
Molecular Weight240.15 g/mol
Exact Mass240.04
IUPAC Name[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]benzene
SMILESFC(F)(F)C(=Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H6F6/c11-9(12,13)8(10(14,15)16)6-7-4-2-1-3-5-7/h1-6H
InChIKeyCLMJLXXZFCOQRB-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.15
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(Z)-4-phenyl-3-(trifluoromethyl)but-3-enamide
CID 71195629
[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl] benzoate
CID 6383558
[(E)-2-fluoro-2-iodoethenyl]benzene
CID 11492511
3-phenyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]prop-2-enoic acid
CID 86246603
(E)-1,1,1-trifluoro-3-methyl-4-phenylbut-3-en-2-ol
CID 10703917
(E)-1,1,1-trifluoro-3-methyl-4-phenylbut-3-ene-2,2-diol
CID 162604448
benzaldehyde;2,2,2-trifluoroacetic acid
CID 160861235
CID 11750295
CID 11750295
(2Z)-2-benzylidene-4,4,4-trifluoro-1-phenylbutane-1,3-dione
CID 126359991
5-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]-3,4-dihydro-2H-pyran
CID 101059907
1-(2-chloro-3,3,3-trifluoroprop-1-enyl)-4-phenylbenzene
CID 134838792
2,2-dibromo(113C)ethenylbenzene
CID 131856077

Frequently Asked Questions

What is the IUPAC name of [3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]benzene?
The IUPAC name of [3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]benzene (CID 640491) is [3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]benzene.
What is the SMILES notation for [3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]benzene?
The canonical SMILES for [3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]benzene is FC(F)(F)C(=Cc1ccccc1)C(F)(F)F.
What is the InChIKey of [3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]benzene?
The InChIKey is CLMJLXXZFCOQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6/c11-9(12,13)8(10(14,15)16)6-7-4-2-1-3-5-7/h1-6H.
What are the key properties of [3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]benzene?
[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]benzene has a molecular weight of 240.15 g/mol, XLogP of 4.19, 1 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-(trifluoromethyl)prop-1-enyl]benzene is sourced from PubChem (CID 640491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).