1-(4-methylidene-6-phenylhex-1-en-3-yl)-3-(trifluoromethyl)benzene

C20H19F3 — CID 129239216

IUPAC1-(4-methylidene-6-phenylhex-1-en-3-yl)-3-(trifluoromethyl)benzene
SMILESC=CC(C(=C)CCc1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H19F3/c1-3-19(15(2)12-13-16-8-5-4-6-9-16)17-10-7-11-18(14-17)20(21,22)23/h3-11,14,19H,1-2,12-13H2
InChIKeyMRZNNLOERHXKEH-UHFFFAOYSA-N
MW316.37 g/mol
LogP6.16
Rot. Bonds6

About 1-(4-methylidene-6-phenylhex-1-en-3-yl)-3-(trifluoromethyl)benzene

1-(4-methylidene-6-phenylhex-1-en-3-yl)-3-(trifluoromethyl)benzene (PubChem CID 129239216) has the molecular formula C20H19F3 and a molecular weight of 316.37 g/mol. Its IUPAC name is 1-(4-methylidene-6-phenylhex-1-en-3-yl)-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(4-methylidene-6-phenylhex-1-en-3-yl)-3-(trifluoromethyl)benzene
PubChem CID129239216
Molecular FormulaC20H19F3
Molecular Weight316.37 g/mol
Exact Mass316.14
IUPAC Name1-(4-methylidene-6-phenylhex-1-en-3-yl)-3-(trifluoromethyl)benzene
SMILESC=CC(C(=C)CCc1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H19F3/c1-3-19(15(2)12-13-16-8-5-4-6-9-16)17-10-7-11-18(14-17)20(21,22)23/h3-11,14,19H,1-2,12-13H2
InChIKeyMRZNNLOERHXKEH-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.37
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43825128
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1-(2-chloro-2-phenylethyl)-3-(trifluoromethyl)benzene
CID 4737547
N-[1-[3-(trifluoromethyl)phenyl]but-3-enyl]aniline
CID 102383013
2-phenyl-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 65431890
1-[(R)-bromo(phenyl)methyl]-3-(trifluoromethyl)benzene
CID 124554901
1-benzyl-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 27533694
1-(4-bromo-4-phenylbutyl)-3-(trifluoromethyl)benzene
CID 64506557
3-(phenylcarbamoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 40817603
1-ethyl-3-[3-[3-(trifluoromethyl)phenyl]but-3-enyl]benzene
CID 143090166
1-amino-1-phenyl-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 116551173
2-methylidene-6-[3-(trifluoromethyl)phenyl]hexanoic acid
CID 142067095

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylidene-6-phenylhex-1-en-3-yl)-3-(trifluoromethyl)benzene?
The IUPAC name of 1-(4-methylidene-6-phenylhex-1-en-3-yl)-3-(trifluoromethyl)benzene (CID 129239216) is 1-(4-methylidene-6-phenylhex-1-en-3-yl)-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(4-methylidene-6-phenylhex-1-en-3-yl)-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-(4-methylidene-6-phenylhex-1-en-3-yl)-3-(trifluoromethyl)benzene is C=CC(C(=C)CCc1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(4-methylidene-6-phenylhex-1-en-3-yl)-3-(trifluoromethyl)benzene?
The InChIKey is MRZNNLOERHXKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3/c1-3-19(15(2)12-13-16-8-5-4-6-9-16)17-10-7-11-18(14-17)20(21,22)23/h3-11,14,19H,1-2,12-13H2.
What are the key properties of 1-(4-methylidene-6-phenylhex-1-en-3-yl)-3-(trifluoromethyl)benzene?
1-(4-methylidene-6-phenylhex-1-en-3-yl)-3-(trifluoromethyl)benzene has a molecular weight of 316.37 g/mol, XLogP of 6.16, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylidene-6-phenylhex-1-en-3-yl)-3-(trifluoromethyl)benzene is sourced from PubChem (CID 129239216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).