3,5-dichloro-2-fluoro-6-(furan-2-yl)benzonitrile

C11H4Cl2FNO — CID 168524830

IUPAC3,5-dichloro-2-fluoro-6-(furan-2-yl)benzonitrile
SMILESN#Cc1c(F)c(Cl)cc(Cl)c1-c1ccco1
InChIInChI=1S/C11H4Cl2FNO/c12-7-4-8(13)11(14)6(5-15)10(7)9-2-1-3-16-9/h1-4H
InChIKeyCWBAZXHIARUGPJ-UHFFFAOYSA-N
MW256.06 g/mol
LogP4.26
Rot. Bonds1

About 3,5-dichloro-2-fluoro-6-(furan-2-yl)benzonitrile

3,5-dichloro-2-fluoro-6-(furan-2-yl)benzonitrile (PubChem CID 168524830) has the molecular formula C11H4Cl2FNO and a molecular weight of 256.06 g/mol. Its IUPAC name is 3,5-dichloro-2-fluoro-6-(furan-2-yl)benzonitrile.

Molecular Properties

Compound Name3,5-dichloro-2-fluoro-6-(furan-2-yl)benzonitrile
PubChem CID168524830
Molecular FormulaC11H4Cl2FNO
Molecular Weight256.06 g/mol
Exact Mass254.97
IUPAC Name3,5-dichloro-2-fluoro-6-(furan-2-yl)benzonitrile
SMILESN#Cc1c(F)c(Cl)cc(Cl)c1-c1ccco1
InChIInChI=1S/C11H4Cl2FNO/c12-7-4-8(13)11(14)6(5-15)10(7)9-2-1-3-16-9/h1-4H
InChIKeyCWBAZXHIARUGPJ-UHFFFAOYSA-N
XLogP4.26
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.06
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(2,4,6-trichlorophenyl)furan
CID 91803022
2-bromo-3,5-dichloro-6-fluorobenzonitrile
CID 169336315
2,3-dichloro-6-(furan-2-yl)benzonitrile
CID 168528808
2-(2,3,4,5,6-pentafluorophenyl)furan
CID 14644888
2-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan
CID 90729865
2-chloro-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile
CID 82114108
2-fluoro-6-(furan-2-yl)benzonitrile
CID 114898559
6-amino-3,5-dicyano-4-(furan-2-yl)pyridine-2-selenolate
CID 15326256
2-amino-6-(2,4-dichlorophenyl)-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile
CID 3339403
3-bromo-4-fluoro-2-(furan-2-yl)benzonitrile
CID 168525732
2-chloro-4-(furan-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 82089655
2-fluoro-4-(furan-2-yl)benzonitrile
CID 130938678

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-fluoro-6-(furan-2-yl)benzonitrile?
The IUPAC name of 3,5-dichloro-2-fluoro-6-(furan-2-yl)benzonitrile (CID 168524830) is 3,5-dichloro-2-fluoro-6-(furan-2-yl)benzonitrile.
What is the SMILES notation for 3,5-dichloro-2-fluoro-6-(furan-2-yl)benzonitrile?
The canonical SMILES for 3,5-dichloro-2-fluoro-6-(furan-2-yl)benzonitrile is N#Cc1c(F)c(Cl)cc(Cl)c1-c1ccco1.
What is the InChIKey of 3,5-dichloro-2-fluoro-6-(furan-2-yl)benzonitrile?
The InChIKey is CWBAZXHIARUGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl2FNO/c12-7-4-8(13)11(14)6(5-15)10(7)9-2-1-3-16-9/h1-4H.
What are the key properties of 3,5-dichloro-2-fluoro-6-(furan-2-yl)benzonitrile?
3,5-dichloro-2-fluoro-6-(furan-2-yl)benzonitrile has a molecular weight of 256.06 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-fluoro-6-(furan-2-yl)benzonitrile is sourced from PubChem (CID 168524830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).