1-[(3,5-difluorophenyl)methyl]-3,5-difluorobenzene

C13H8F4 — CID 54036374

IUPAC1-[(3,5-difluorophenyl)methyl]-3,5-difluorobenzene
SMILESFc1cc(F)cc(Cc2cc(F)cc(F)c2)c1
InChIInChI=1S/C13H8F4/c14-10-2-8(3-11(15)6-10)1-9-4-12(16)7-13(17)5-9/h2-7H,1H2
InChIKeyHZFFNHTUWCSZGY-UHFFFAOYSA-N
MW240.20 g/mol
LogP3.83
Rot. Bonds2

About 1-[(3,5-difluorophenyl)methyl]-3,5-difluorobenzene

1-[(3,5-difluorophenyl)methyl]-3,5-difluorobenzene (PubChem CID 54036374) has the molecular formula C13H8F4 and a molecular weight of 240.20 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]-3,5-difluorobenzene.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]-3,5-difluorobenzene
PubChem CID54036374
Molecular FormulaC13H8F4
Molecular Weight240.20 g/mol
Exact Mass240.06
IUPAC Name1-[(3,5-difluorophenyl)methyl]-3,5-difluorobenzene
SMILESFc1cc(F)cc(Cc2cc(F)cc(F)c2)c1
InChIInChI=1S/C13H8F4/c14-10-2-8(3-11(15)6-10)1-9-4-12(16)7-13(17)5-9/h2-7H,1H2
InChIKeyHZFFNHTUWCSZGY-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylbenzene
CID 150549971
1-ethyl-3,5-difluorobenzene;methanamine
CID 154650973
1,3-difluoro-5-propylbenzene;fluoromethane
CID 143588669
1-(disulfanylmethyl)-3,5-difluorobenzene
CID 143472792
1-[(3,5-difluorophenyl)methylsulfonylmethyl]-3,5-difluorobenzene
CID 68587062
1-[4-[(3,5-difluorophenyl)methyl]-2-hydroxyphenyl]ethanone
CID 91499735
1-(3,5-difluorophenyl)-2-methylpropan-2-amine
CID 22063501
1,3-difluoro-5-(2-phenylethyl)benzene
CID 90780533
1-(3-bromopropyl)-3,5-difluorobenzene
CID 53433983
1-[2-[(3,5-difluorophenyl)methyl]pyrimidin-5-yl]-N-methylmethanamine
CID 62756211
3-fluoro-5-[(3,4,5-trifluorophenyl)methyl]pyridine
CID 175294504
4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]pyridine
CID 175818404

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]-3,5-difluorobenzene?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]-3,5-difluorobenzene (CID 54036374) is 1-[(3,5-difluorophenyl)methyl]-3,5-difluorobenzene.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]-3,5-difluorobenzene?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]-3,5-difluorobenzene is Fc1cc(F)cc(Cc2cc(F)cc(F)c2)c1.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]-3,5-difluorobenzene?
The InChIKey is HZFFNHTUWCSZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4/c14-10-2-8(3-11(15)6-10)1-9-4-12(16)7-13(17)5-9/h2-7H,1H2.
What are the key properties of 1-[(3,5-difluorophenyl)methyl]-3,5-difluorobenzene?
1-[(3,5-difluorophenyl)methyl]-3,5-difluorobenzene has a molecular weight of 240.20 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorophenyl)methyl]-3,5-difluorobenzene is sourced from PubChem (CID 54036374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).