1-[difluoro-(3-fluorophenyl)methyl]-3-fluorobenzene

C13H8F4 — CID 70952663

IUPAC1-[difluoro-(3-fluorophenyl)methyl]-3-fluorobenzene
SMILESFc1cccc(C(F)(F)c2cccc(F)c2)c1
InChIInChI=1S/C13H8F4/c14-11-5-1-3-9(7-11)13(16,17)10-4-2-6-12(15)8-10/h1-8H
InChIKeyGDTSSPJKSKTHNL-UHFFFAOYSA-N
MW240.20 g/mol
LogP4.10
Rot. Bonds2

About 1-[difluoro-(3-fluorophenyl)methyl]-3-fluorobenzene

1-[difluoro-(3-fluorophenyl)methyl]-3-fluorobenzene (PubChem CID 70952663) has the molecular formula C13H8F4 and a molecular weight of 240.20 g/mol. Its IUPAC name is 1-[difluoro-(3-fluorophenyl)methyl]-3-fluorobenzene.

Molecular Properties

Compound Name1-[difluoro-(3-fluorophenyl)methyl]-3-fluorobenzene
PubChem CID70952663
Molecular FormulaC13H8F4
Molecular Weight240.20 g/mol
Exact Mass240.06
IUPAC Name1-[difluoro-(3-fluorophenyl)methyl]-3-fluorobenzene
SMILESFc1cccc(C(F)(F)c2cccc(F)c2)c1
InChIInChI=1S/C13H8F4/c14-11-5-1-3-9(7-11)13(16,17)10-4-2-6-12(15)8-10/h1-8H
InChIKeyGDTSSPJKSKTHNL-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.20
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1-difluoro-1-(3-fluorophenyl)propan-2-amine
CID 83855474
1-bromo-1-(3-fluorophenyl)ethanol
CID 143635660
1-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62787437
1-fluoro-3-[2-(4-fluorophenyl)propan-2-yl]benzene
CID 54498012
3,3-difluoro-3-(3-fluorophenyl)propanoic acid
CID 84672023
3-[difluoro-(3-fluorophenyl)methyl]azetidine
CID 105453338
1-fluoro-3-iodobenzene;1-iodo-3-(trifluoromethyl)benzene
CID 161082404
2-(3-fluorophenyl)-2-methylpropane-1,3-diol
CID 79450508
2-amino-1,1-bis(3-fluorophenyl)ethanol
CID 71663464
2,3-difluoro-2-(3-fluorophenyl)propanoic acid
CID 175420494
4,4-difluoro-4-(3-fluorophenyl)butan-2-one
CID 105454124
(2S)-2-amino-3,3,3-trifluoro-2-(3-fluorophenyl)propanoic acid
CID 95298191

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro-(3-fluorophenyl)methyl]-3-fluorobenzene?
The IUPAC name of 1-[difluoro-(3-fluorophenyl)methyl]-3-fluorobenzene (CID 70952663) is 1-[difluoro-(3-fluorophenyl)methyl]-3-fluorobenzene.
What is the SMILES notation for 1-[difluoro-(3-fluorophenyl)methyl]-3-fluorobenzene?
The canonical SMILES for 1-[difluoro-(3-fluorophenyl)methyl]-3-fluorobenzene is Fc1cccc(C(F)(F)c2cccc(F)c2)c1.
What is the InChIKey of 1-[difluoro-(3-fluorophenyl)methyl]-3-fluorobenzene?
The InChIKey is GDTSSPJKSKTHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4/c14-11-5-1-3-9(7-11)13(16,17)10-4-2-6-12(15)8-10/h1-8H.
What are the key properties of 1-[difluoro-(3-fluorophenyl)methyl]-3-fluorobenzene?
1-[difluoro-(3-fluorophenyl)methyl]-3-fluorobenzene has a molecular weight of 240.20 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro-(3-fluorophenyl)methyl]-3-fluorobenzene is sourced from PubChem (CID 70952663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).