(2S)-2-(2,4-dichlorophenyl)-2-fluoropropanenitrile

C9H6Cl2FN — CID 124567272

IUPAC(2S)-2-(2,4-dichlorophenyl)-2-fluoropropanenitrile
SMILESC[C@@](F)(C#N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H6Cl2FN/c1-9(12,5-13)7-3-2-6(10)4-8(7)11/h2-4H,1H3/t9-/m1/s1
InChIKeySCYYOOWSEXGLFZ-SECBINFHSA-N
MW218.06 g/mol
LogP3.70
Rot. Bonds1

About (2S)-2-(2,4-dichlorophenyl)-2-fluoropropanenitrile

(2S)-2-(2,4-dichlorophenyl)-2-fluoropropanenitrile (PubChem CID 124567272) has the molecular formula C9H6Cl2FN and a molecular weight of 218.06 g/mol. Its IUPAC name is (2S)-2-(2,4-dichlorophenyl)-2-fluoropropanenitrile.

Molecular Properties

Compound Name(2S)-2-(2,4-dichlorophenyl)-2-fluoropropanenitrile
PubChem CID124567272
Molecular FormulaC9H6Cl2FN
Molecular Weight218.06 g/mol
Exact Mass216.99
IUPAC Name(2S)-2-(2,4-dichlorophenyl)-2-fluoropropanenitrile
SMILESC[C@@](F)(C#N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H6Cl2FN/c1-9(12,5-13)7-3-2-6(10)4-8(7)11/h2-4H,1H3/t9-/m1/s1
InChIKeySCYYOOWSEXGLFZ-SECBINFHSA-N
XLogP3.70
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.06
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(2,4-dichlorophenyl)-2-fluoropropan-1-amine
CID 124567259
2-(2,4-dichlorophenyl)propan-2-ol
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2,4-dichloro-1-(2-methylbut-3-en-2-yl)benzene
CID 131994334
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2-(2,4-dichlorophenyl)-2-prop-2-enylpent-4-enenitrile
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(2R)-2-amino-2-(2,5-dichlorophenyl)propanenitrile
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2-(2,4-dichlorophenyl)-1,1,1-trifluorobutan-2-ol
CID 83957607
2-(2,4-dichlorophenyl)-N,N,2-trimethylpropanamide
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(2R)-2-(2,4-dichlorophenyl)-3-methylbutan-2-amine
CID 131150424
2-chloro-2-(2,4-dichlorophenyl)propanal
CID 20571053
3-(5-chloro-2-fluorophenyl)-2,2-dimethyl-3-oxopropanenitrile
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2-(4-chlorophenyl)-2,2-difluoroacetonitrile
CID 23568092

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dichlorophenyl)-2-fluoropropanenitrile?
The IUPAC name of (2S)-2-(2,4-dichlorophenyl)-2-fluoropropanenitrile (CID 124567272) is (2S)-2-(2,4-dichlorophenyl)-2-fluoropropanenitrile.
What is the SMILES notation for (2S)-2-(2,4-dichlorophenyl)-2-fluoropropanenitrile?
The canonical SMILES for (2S)-2-(2,4-dichlorophenyl)-2-fluoropropanenitrile is C[C@@](F)(C#N)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2S)-2-(2,4-dichlorophenyl)-2-fluoropropanenitrile?
The InChIKey is SCYYOOWSEXGLFZ-SECBINFHSA-N. The full InChI is InChI=1S/C9H6Cl2FN/c1-9(12,5-13)7-3-2-6(10)4-8(7)11/h2-4H,1H3/t9-/m1/s1.
What are the key properties of (2S)-2-(2,4-dichlorophenyl)-2-fluoropropanenitrile?
(2S)-2-(2,4-dichlorophenyl)-2-fluoropropanenitrile has a molecular weight of 218.06 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dichlorophenyl)-2-fluoropropanenitrile is sourced from PubChem (CID 124567272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).