1-fluoro-3-[3-(3-fluorophenyl)prop-1-enyl]benzene

C15H12F2 — CID 174834493

IUPAC1-fluoro-3-[3-(3-fluorophenyl)prop-1-enyl]benzene
SMILESFc1cccc(C=CCc2cccc(F)c2)c1
InChIInChI=1S/C15H12F2/c16-14-8-2-6-12(10-14)4-1-5-13-7-3-9-15(17)11-13/h1-4,6-11H,5H2
InChIKeyZACVSNAPJOBVRT-UHFFFAOYSA-N
MW230.26 g/mol
LogP4.22
Rot. Bonds3

About 1-fluoro-3-[3-(3-fluorophenyl)prop-1-enyl]benzene

1-fluoro-3-[3-(3-fluorophenyl)prop-1-enyl]benzene (PubChem CID 174834493) has the molecular formula C15H12F2 and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-fluoro-3-[3-(3-fluorophenyl)prop-1-enyl]benzene.

Molecular Properties

Compound Name1-fluoro-3-[3-(3-fluorophenyl)prop-1-enyl]benzene
PubChem CID174834493
Molecular FormulaC15H12F2
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name1-fluoro-3-[3-(3-fluorophenyl)prop-1-enyl]benzene
SMILESFc1cccc(C=CCc2cccc(F)c2)c1
InChIInChI=1S/C15H12F2/c16-14-8-2-6-12(10-14)4-1-5-13-7-3-9-15(17)11-13/h1-4,6-11H,5H2
InChIKeyZACVSNAPJOBVRT-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 117265824
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(E)-1,5-bis(3-fluorophenyl)pent-1-en-3-one
CID 102288394
1-[(E)-4,4-dimethoxybut-1-enyl]-3-fluorobenzene
CID 71465696
1-fluoro-3-[(Z)-3-isocyanatoprop-1-enyl]benzene
CID 117268014
5-(3-fluorophenyl)-N-methylpent-4-en-2-amine
CID 70124830
(E)-3-(3-fluorophenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine
CID 122385228
3-[(Z)-3-(3-carbamimidoylphenyl)prop-2-enyl]benzenecarboximidamide
CID 70416553
2-[(3-fluorophenyl)methyl]-5-phenylpent-4-enoic acid
CID 79422053
5-[2-(3-fluorophenyl)ethenyl]benzene-1,3-diol
CID 75071270
5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol
CID 44563802
10-(3-fluorophenyl)dec-9-enoic acid
CID 66874108

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[3-(3-fluorophenyl)prop-1-enyl]benzene?
The IUPAC name of 1-fluoro-3-[3-(3-fluorophenyl)prop-1-enyl]benzene (CID 174834493) is 1-fluoro-3-[3-(3-fluorophenyl)prop-1-enyl]benzene.
What is the SMILES notation for 1-fluoro-3-[3-(3-fluorophenyl)prop-1-enyl]benzene?
The canonical SMILES for 1-fluoro-3-[3-(3-fluorophenyl)prop-1-enyl]benzene is Fc1cccc(C=CCc2cccc(F)c2)c1.
What is the InChIKey of 1-fluoro-3-[3-(3-fluorophenyl)prop-1-enyl]benzene?
The InChIKey is ZACVSNAPJOBVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2/c16-14-8-2-6-12(10-14)4-1-5-13-7-3-9-15(17)11-13/h1-4,6-11H,5H2.
What are the key properties of 1-fluoro-3-[3-(3-fluorophenyl)prop-1-enyl]benzene?
1-fluoro-3-[3-(3-fluorophenyl)prop-1-enyl]benzene has a molecular weight of 230.26 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[3-(3-fluorophenyl)prop-1-enyl]benzene is sourced from PubChem (CID 174834493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).