4-ethenyl-1-fluoro-2-(3-propan-2-ylphenyl)benzene

C17H17F — CID 175665583

IUPAC4-ethenyl-1-fluoro-2-(3-propan-2-ylphenyl)benzene
SMILESC=Cc1ccc(F)c(-c2cccc(C(C)C)c2)c1
InChIInChI=1S/C17H17F/c1-4-13-8-9-17(18)16(10-13)15-7-5-6-14(11-15)12(2)3/h4-12H,1H2,2-3H3
InChIKeyBCFXUUVHNUXBME-UHFFFAOYSA-N
MW240.32 g/mol
LogP5.26
Rot. Bonds3

About 4-ethenyl-1-fluoro-2-(3-propan-2-ylphenyl)benzene

4-ethenyl-1-fluoro-2-(3-propan-2-ylphenyl)benzene (PubChem CID 175665583) has the molecular formula C17H17F and a molecular weight of 240.32 g/mol. Its IUPAC name is 4-ethenyl-1-fluoro-2-(3-propan-2-ylphenyl)benzene.

Molecular Properties

Compound Name4-ethenyl-1-fluoro-2-(3-propan-2-ylphenyl)benzene
PubChem CID175665583
Molecular FormulaC17H17F
Molecular Weight240.32 g/mol
Exact Mass240.13
IUPAC Name4-ethenyl-1-fluoro-2-(3-propan-2-ylphenyl)benzene
SMILESC=Cc1ccc(F)c(-c2cccc(C(C)C)c2)c1
InChIInChI=1S/C17H17F/c1-4-13-8-9-17(18)16(10-13)15-7-5-6-14(11-15)12(2)3/h4-12H,1H2,2-3H3
InChIKeyBCFXUUVHNUXBME-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.32
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-2-(3-propan-2-ylphenyl)benzene
CID 20871867
4-fluoro-3-(3-propan-2-ylphenyl)benzoic acid
CID 175665590
1-(4-fluorophenyl)-5-propan-2-ylazulene
CID 19815703
1-bromo-3-ethenylbenzene;1-bromo-3-propan-2-ylbenzene;1,4-dibromobenzene
CID 161168860
4-(3-propan-2-ylphenyl)benzene-1,2,3-triol
CID 54086039
ethane;1-ethenyl-2-methylbenzene;1-ethenyl-3-propan-2-ylbenzene
CID 176998794
4-fluoro-5-methyl-2-(3-propan-2-ylphenyl)benzoic acid
CID 172914147
N-ethyl-1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanamine
CID 54911693
1-(3-ethenylphenyl)-N-fluoroethanamine
CID 174901284
1-ethenyl-3-(1-phenylethyl)benzene
CID 14750258
2-methyl-6-(3-propan-2-ylphenyl)aniline
CID 172649943
(4-ethenylbenzoyl) 3-propan-2-ylbenzoate
CID 163394036

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-fluoro-2-(3-propan-2-ylphenyl)benzene?
The IUPAC name of 4-ethenyl-1-fluoro-2-(3-propan-2-ylphenyl)benzene (CID 175665583) is 4-ethenyl-1-fluoro-2-(3-propan-2-ylphenyl)benzene.
What is the SMILES notation for 4-ethenyl-1-fluoro-2-(3-propan-2-ylphenyl)benzene?
The canonical SMILES for 4-ethenyl-1-fluoro-2-(3-propan-2-ylphenyl)benzene is C=Cc1ccc(F)c(-c2cccc(C(C)C)c2)c1.
What is the InChIKey of 4-ethenyl-1-fluoro-2-(3-propan-2-ylphenyl)benzene?
The InChIKey is BCFXUUVHNUXBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F/c1-4-13-8-9-17(18)16(10-13)15-7-5-6-14(11-15)12(2)3/h4-12H,1H2,2-3H3.
What are the key properties of 4-ethenyl-1-fluoro-2-(3-propan-2-ylphenyl)benzene?
4-ethenyl-1-fluoro-2-(3-propan-2-ylphenyl)benzene has a molecular weight of 240.32 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-fluoro-2-(3-propan-2-ylphenyl)benzene is sourced from PubChem (CID 175665583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).