1-(2,2-dichloro-3,3-difluorocyclopropyl)-4-fluorobenzene

C9H5Cl2F3 — CID 101056231

IUPAC1-(2,2-dichloro-3,3-difluorocyclopropyl)-4-fluorobenzene
SMILESFc1ccc(C2C(F)(F)C2(Cl)Cl)cc1
InChIInChI=1S/C9H5Cl2F3/c10-8(11)7(9(8,13)14)5-1-3-6(12)4-2-5/h1-4,7H
InChIKeyYSSGRWALTNLWSJ-UHFFFAOYSA-N
MW241.04 g/mol
LogP3.73
Rot. Bonds1

About 1-(2,2-dichloro-3,3-difluorocyclopropyl)-4-fluorobenzene

1-(2,2-dichloro-3,3-difluorocyclopropyl)-4-fluorobenzene (PubChem CID 101056231) has the molecular formula C9H5Cl2F3 and a molecular weight of 241.04 g/mol. Its IUPAC name is 1-(2,2-dichloro-3,3-difluorocyclopropyl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(2,2-dichloro-3,3-difluorocyclopropyl)-4-fluorobenzene
PubChem CID101056231
Molecular FormulaC9H5Cl2F3
Molecular Weight241.04 g/mol
Exact Mass239.97
IUPAC Name1-(2,2-dichloro-3,3-difluorocyclopropyl)-4-fluorobenzene
SMILESFc1ccc(C2C(F)(F)C2(Cl)Cl)cc1
InChIInChI=1S/C9H5Cl2F3/c10-8(11)7(9(8,13)14)5-1-3-6(12)4-2-5/h1-4,7H
InChIKeyYSSGRWALTNLWSJ-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.04
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

dichloro-tris(4-fluorophenyl)-λ5-phosphane
CID 22013252
3-(4-fluorophenyl)-2,2-dimethylcyclopropane-1,1-dicarboxamide
CID 90808912
1-fluoro-4-[4-(4-fluorophenyl)cyclohexyl]benzene
CID 122631633
1,4-difluorobenzene bromide
CID 21301175
[2,2-difluoro-3-(4-fluorophenyl)cyclopropyl]methanol
CID 126845026
[2,2-difluoro-3-(4-fluorophenyl)cyclopropyl]methanamine
CID 126845028
(2R)-4,4-difluoro-2-(4-fluorophenyl)pyrrolidine
CID 159819312
1,4-difluorobenzene;trichloroalumane
CID 174965184
4,5,9,10-tetrakis(4-fluorophenyl)tricyclo[6.2.0.03,6]decane-2,7-dione
CID 122374958
1-fluoro-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid
CID 131128796
2-(4-fluorophenyl)-3-methylaziridine
CID 71437972
3-(4-fluorophenyl)azetidine
CID 55250938

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dichloro-3,3-difluorocyclopropyl)-4-fluorobenzene?
The IUPAC name of 1-(2,2-dichloro-3,3-difluorocyclopropyl)-4-fluorobenzene (CID 101056231) is 1-(2,2-dichloro-3,3-difluorocyclopropyl)-4-fluorobenzene.
What is the SMILES notation for 1-(2,2-dichloro-3,3-difluorocyclopropyl)-4-fluorobenzene?
The canonical SMILES for 1-(2,2-dichloro-3,3-difluorocyclopropyl)-4-fluorobenzene is Fc1ccc(C2C(F)(F)C2(Cl)Cl)cc1.
What is the InChIKey of 1-(2,2-dichloro-3,3-difluorocyclopropyl)-4-fluorobenzene?
The InChIKey is YSSGRWALTNLWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2F3/c10-8(11)7(9(8,13)14)5-1-3-6(12)4-2-5/h1-4,7H.
What are the key properties of 1-(2,2-dichloro-3,3-difluorocyclopropyl)-4-fluorobenzene?
1-(2,2-dichloro-3,3-difluorocyclopropyl)-4-fluorobenzene has a molecular weight of 241.04 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dichloro-3,3-difluorocyclopropyl)-4-fluorobenzene is sourced from PubChem (CID 101056231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).