ethene;1-fluoro-4-(1-phenylethyl)benzene

C16H17F — CID 144850475

IUPACethene;1-fluoro-4-(1-phenylethyl)benzene
SMILESC=C.CC(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C14H13F.C2H4/c1-11(12-5-3-2-4-6-12)13-7-9-14(15)10-8-13;1-2/h2-11H,1H3;1-2H2
InChIKeyRVMBNTKGOANJQX-UHFFFAOYSA-N
MW228.31 g/mol
LogP4.78
Rot. Bonds2

About ethene;1-fluoro-4-(1-phenylethyl)benzene

ethene;1-fluoro-4-(1-phenylethyl)benzene (PubChem CID 144850475) has the molecular formula C16H17F and a molecular weight of 228.31 g/mol. Its IUPAC name is ethene;1-fluoro-4-(1-phenylethyl)benzene.

Molecular Properties

Compound Nameethene;1-fluoro-4-(1-phenylethyl)benzene
PubChem CID144850475
Molecular FormulaC16H17F
Molecular Weight228.31 g/mol
Exact Mass228.13
IUPAC Nameethene;1-fluoro-4-(1-phenylethyl)benzene
SMILESC=C.CC(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C14H13F.C2H4/c1-11(12-5-3-2-4-6-12)13-7-9-14(15)10-8-13;1-2/h2-11H,1H3;1-2H2
InChIKeyRVMBNTKGOANJQX-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 54.78
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

1-phenylethylbenzene
CID 142851428
1-phenylethylbenzene
CID 11918
1-phenylethylbenzene;stibane
CID 174965918
ethane;1-phenylethylbenzene
CID 164998811
(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine
CID 78956090
ethane;methane;1-phenylethylbenzene
CID 143105414
(1R,2R)-1-(4-fluorophenyl)-2-phenylpropan-1-ol
CID 134955278
[(4-fluorophenyl)-phenylmethyl]chloranium
CID 142220193
(4-fluorophenyl)-phenylmethanamine
CID 11183272
cumene;ethane;1-phenylethylbenzene
CID 158118082
1-phenyl-4-[4-[1-(4-phenylphenyl)ethyl]phenyl]benzene
CID 174323056
cumene;1-fluoro-4-propan-2-ylbenzene;1,2,3-trifluoro-5-propan-2-ylbenzene
CID 159517026

Frequently Asked Questions

What is the IUPAC name of ethene;1-fluoro-4-(1-phenylethyl)benzene?
The IUPAC name of ethene;1-fluoro-4-(1-phenylethyl)benzene (CID 144850475) is ethene;1-fluoro-4-(1-phenylethyl)benzene.
What is the SMILES notation for ethene;1-fluoro-4-(1-phenylethyl)benzene?
The canonical SMILES for ethene;1-fluoro-4-(1-phenylethyl)benzene is C=C.CC(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of ethene;1-fluoro-4-(1-phenylethyl)benzene?
The InChIKey is RVMBNTKGOANJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F.C2H4/c1-11(12-5-3-2-4-6-12)13-7-9-14(15)10-8-13;1-2/h2-11H,1H3;1-2H2.
What are the key properties of ethene;1-fluoro-4-(1-phenylethyl)benzene?
ethene;1-fluoro-4-(1-phenylethyl)benzene has a molecular weight of 228.31 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-fluoro-4-(1-phenylethyl)benzene is sourced from PubChem (CID 144850475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).