1-(difluoromethyl)-3-ethenyl-5-fluorobenzene

C9H7F3 — CID 155293606

IUPAC1-(difluoromethyl)-3-ethenyl-5-fluorobenzene
SMILESC=Cc1cc(F)cc(C(F)F)c1
InChIInChI=1S/C9H7F3/c1-2-6-3-7(9(11)12)5-8(10)4-6/h2-5,9H,1H2
InChIKeyFDAGRNUFNZKCKR-UHFFFAOYSA-N
MW172.15 g/mol
LogP3.41
Rot. Bonds2

About 1-(difluoromethyl)-3-ethenyl-5-fluorobenzene

1-(difluoromethyl)-3-ethenyl-5-fluorobenzene (PubChem CID 155293606) has the molecular formula C9H7F3 and a molecular weight of 172.15 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-ethenyl-5-fluorobenzene.

Molecular Properties

Compound Name1-(difluoromethyl)-3-ethenyl-5-fluorobenzene
PubChem CID155293606
Molecular FormulaC9H7F3
Molecular Weight172.15 g/mol
Exact Mass172.05
IUPAC Name1-(difluoromethyl)-3-ethenyl-5-fluorobenzene
SMILESC=Cc1cc(F)cc(C(F)F)c1
InChIInChI=1S/C9H7F3/c1-2-6-3-7(9(11)12)5-8(10)4-6/h2-5,9H,1H2
InChIKeyFDAGRNUFNZKCKR-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.15
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethenyl-3-fluoro-5-iodobenzene
CID 168851196
1-(difluoromethyl)-3-fluoro-5-propan-2-ylbenzene
CID 118404669
1,3,5-tris(ethenyl)benzene
CID 10219562
1-ethenyl-3-fluoro-5-propylbenzene
CID 118269346
1-ethenyl-3-ethoxy-5-fluorobenzene
CID 118268941
6-butyldec-5-en-5-ylstannane;1-(difluoromethoxy)-3-ethenyl-5-fluorobenzene
CID 161409175
(1R,2R)-1,2-bis(3,5-difluorophenyl)ethane-1,2-diamine
CID 58298555
(3,5-difluorophenyl)methanediol
CID 142893041
1-(3,5-difluorophenyl)but-3-enylhydrazine
CID 105207895
5-ethenyl-1,3-difluoro-2-(trifluoromethyl)benzene
CID 141427748
1-(3-ethenyl-5-fluorophenyl)-4-methylpiperidine
CID 143171208
3-(4-amino-1,2-dihydroxybutyl)-5-fluorobenzaldehyde
CID 171881176

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-ethenyl-5-fluorobenzene?
The IUPAC name of 1-(difluoromethyl)-3-ethenyl-5-fluorobenzene (CID 155293606) is 1-(difluoromethyl)-3-ethenyl-5-fluorobenzene.
What is the SMILES notation for 1-(difluoromethyl)-3-ethenyl-5-fluorobenzene?
The canonical SMILES for 1-(difluoromethyl)-3-ethenyl-5-fluorobenzene is C=Cc1cc(F)cc(C(F)F)c1.
What is the InChIKey of 1-(difluoromethyl)-3-ethenyl-5-fluorobenzene?
The InChIKey is FDAGRNUFNZKCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3/c1-2-6-3-7(9(11)12)5-8(10)4-6/h2-5,9H,1H2.
What are the key properties of 1-(difluoromethyl)-3-ethenyl-5-fluorobenzene?
1-(difluoromethyl)-3-ethenyl-5-fluorobenzene has a molecular weight of 172.15 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-ethenyl-5-fluorobenzene is sourced from PubChem (CID 155293606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).