1,3-difluoro-5-(2-phenylethyl)benzene

C14H12F2 — CID 90780533

IUPAC1,3-difluoro-5-(2-phenylethyl)benzene
SMILESFc1cc(F)cc(CCc2ccccc2)c1
InChIInChI=1S/C14H12F2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2
InChIKeyGZNWCGRYSRUBPU-UHFFFAOYSA-N
MW218.25 g/mol
LogP3.75
Rot. Bonds3

About 1,3-difluoro-5-(2-phenylethyl)benzene

1,3-difluoro-5-(2-phenylethyl)benzene (PubChem CID 90780533) has the molecular formula C14H12F2 and a molecular weight of 218.25 g/mol. Its IUPAC name is 1,3-difluoro-5-(2-phenylethyl)benzene.

Molecular Properties

Compound Name1,3-difluoro-5-(2-phenylethyl)benzene
PubChem CID90780533
Molecular FormulaC14H12F2
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name1,3-difluoro-5-(2-phenylethyl)benzene
SMILESFc1cc(F)cc(CCc2ccccc2)c1
InChIInChI=1S/C14H12F2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2
InChIKeyGZNWCGRYSRUBPU-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

benzene;2-phenylethylbenzene
CID 18982764
N-[(3,5-difluorophenyl)methyl]-1-phenylmethanamine
CID 60752788
1-fluoro-3-[2-(4-phenylphenyl)ethyl]benzene
CID 174588625
hafnium;2-phenylethylbenzene
CID 173109801
3-(3,5-difluorophenyl)propanoic acid;fluorobenzene
CID 144589467
alumane;2-phenylethylbenzene;hydrobromide
CID 173446278
1-(3,5-difluorophenyl)-3-phenylpropan-2-one
CID 61496724
N-[(3,5-difluorophenyl)methyl]-4-phenylbutan-2-amine
CID 115623663
N-[2-(3,5-difluorophenyl)ethyl]-2,2-difluoro-2-phenylethanamine
CID 116789040
1-[2-(3,5-dimethylphenyl)ethyl]-3,5-dimethylbenzene;2-phenylethylbenzene
CID 173107098
ethane;methane;2-phenylethylbenzene
CID 158652330
4-fluoro-2-methyl-1-(2-phenylethyl)benzene
CID 90778447

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-(2-phenylethyl)benzene?
The IUPAC name of 1,3-difluoro-5-(2-phenylethyl)benzene (CID 90780533) is 1,3-difluoro-5-(2-phenylethyl)benzene.
What is the SMILES notation for 1,3-difluoro-5-(2-phenylethyl)benzene?
The canonical SMILES for 1,3-difluoro-5-(2-phenylethyl)benzene is Fc1cc(F)cc(CCc2ccccc2)c1.
What is the InChIKey of 1,3-difluoro-5-(2-phenylethyl)benzene?
The InChIKey is GZNWCGRYSRUBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2.
What are the key properties of 1,3-difluoro-5-(2-phenylethyl)benzene?
1,3-difluoro-5-(2-phenylethyl)benzene has a molecular weight of 218.25 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-(2-phenylethyl)benzene is sourced from PubChem (CID 90780533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).