2-(5-chloro-2-ethyl-3-fluorophenyl)propanenitrile

C11H11ClFN — CID 143515597

IUPAC2-(5-chloro-2-ethyl-3-fluorophenyl)propanenitrile
SMILESCCc1c(F)cc(Cl)cc1C(C)C#N
InChIInChI=1S/C11H11ClFN/c1-3-9-10(7(2)6-14)4-8(12)5-11(9)13/h4-5,7H,3H2,1-2H3
InChIKeySXHCDYZLHCAYRF-UHFFFAOYSA-N
MW211.67 g/mol
LogP3.67
Rot. Bonds2

About 2-(5-chloro-2-ethyl-3-fluorophenyl)propanenitrile

2-(5-chloro-2-ethyl-3-fluorophenyl)propanenitrile (PubChem CID 143515597) has the molecular formula C11H11ClFN and a molecular weight of 211.67 g/mol. Its IUPAC name is 2-(5-chloro-2-ethyl-3-fluorophenyl)propanenitrile.

Molecular Properties

Compound Name2-(5-chloro-2-ethyl-3-fluorophenyl)propanenitrile
PubChem CID143515597
Molecular FormulaC11H11ClFN
Molecular Weight211.67 g/mol
Exact Mass211.06
IUPAC Name2-(5-chloro-2-ethyl-3-fluorophenyl)propanenitrile
SMILESCCc1c(F)cc(Cl)cc1C(C)C#N
InChIInChI=1S/C11H11ClFN/c1-3-9-10(7(2)6-14)4-8(12)5-11(9)13/h4-5,7H,3H2,1-2H3
InChIKeySXHCDYZLHCAYRF-UHFFFAOYSA-N
XLogP3.67
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.67
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromo-5-chlorophenyl)propanenitrile
CID 130134968
2-(2,3,4-trifluorophenyl)propanenitrile
CID 117046772
2-(butan-2-ylamino)-2-(5-chloro-2-fluorophenyl)acetonitrile
CID 114843576
1-butan-2-yl-4-chloro-2-fluorobenzene
CID 54159004
1-(4-chloro-2,6-difluorophenyl)butan-2-amine
CID 130848043
2-(4-chloro-2-fluorophenyl)hexanenitrile
CID 56604891
5-chloro-1,3-difluoro-2-(fluoromethyl)benzene
CID 130776716
2,3-dichloro-4-ethyl-1,5-difluorobenzene
CID 155190047
2-(3,4-difluoro-2-hydroxyphenyl)propanenitrile
CID 84768882
2-(2,5-difluoro-4-methoxyphenyl)propanenitrile
CID 83699160
2-(5-chloro-2-fluorophenyl)-2-(dimethylamino)acetonitrile
CID 114859351
(2R)-2-amino-2-(5-chloro-2-fluorophenyl)acetonitrile
CID 130634473

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-ethyl-3-fluorophenyl)propanenitrile?
The IUPAC name of 2-(5-chloro-2-ethyl-3-fluorophenyl)propanenitrile (CID 143515597) is 2-(5-chloro-2-ethyl-3-fluorophenyl)propanenitrile.
What is the SMILES notation for 2-(5-chloro-2-ethyl-3-fluorophenyl)propanenitrile?
The canonical SMILES for 2-(5-chloro-2-ethyl-3-fluorophenyl)propanenitrile is CCc1c(F)cc(Cl)cc1C(C)C#N.
What is the InChIKey of 2-(5-chloro-2-ethyl-3-fluorophenyl)propanenitrile?
The InChIKey is SXHCDYZLHCAYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN/c1-3-9-10(7(2)6-14)4-8(12)5-11(9)13/h4-5,7H,3H2,1-2H3.
What are the key properties of 2-(5-chloro-2-ethyl-3-fluorophenyl)propanenitrile?
2-(5-chloro-2-ethyl-3-fluorophenyl)propanenitrile has a molecular weight of 211.67 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-ethyl-3-fluorophenyl)propanenitrile is sourced from PubChem (CID 143515597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).