2-(2-chloro-4-fluorophenyl)-2-propylpentanenitrile

C14H17ClFN — CID 63540906

IUPAC2-(2-chloro-4-fluorophenyl)-2-propylpentanenitrile
SMILESCCCC(C#N)(CCC)c1ccc(F)cc1Cl
InChIInChI=1S/C14H17ClFN/c1-3-7-14(10-17,8-4-2)12-6-5-11(16)9-13(12)15/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyVPJIAQLSGMOGMW-UHFFFAOYSA-N
MW253.75 g/mol
LogP4.84
Rot. Bonds5

About 2-(2-chloro-4-fluorophenyl)-2-propylpentanenitrile

2-(2-chloro-4-fluorophenyl)-2-propylpentanenitrile (PubChem CID 63540906) has the molecular formula C14H17ClFN and a molecular weight of 253.75 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-2-propylpentanenitrile.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-2-propylpentanenitrile
PubChem CID63540906
Molecular FormulaC14H17ClFN
Molecular Weight253.75 g/mol
Exact Mass253.10
IUPAC Name2-(2-chloro-4-fluorophenyl)-2-propylpentanenitrile
SMILESCCCC(C#N)(CCC)c1ccc(F)cc1Cl
InChIInChI=1S/C14H17ClFN/c1-3-7-14(10-17,8-4-2)12-6-5-11(16)9-13(12)15/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyVPJIAQLSGMOGMW-UHFFFAOYSA-N
XLogP4.84
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-propyl-2-(2,4,5-trifluorophenyl)pentanenitrile
CID 142700783
2-(2-chloro-4-fluorophenyl)-2-propylpentanoic acid
CID 63541856
3-amino-3-(2-chloro-4-fluorophenyl)butan-1-ol
CID 65239967
2,4-difluoro-1-(2-methylpentan-2-yl)benzene
CID 126704363
2-(2,4-difluorophenyl)-2-methylbutanenitrile
CID 117047762
2-(2-chlorophenyl)-2-(pyridin-3-ylmethyl)pentanenitrile
CID 23047304
2-(2-chloro-4-fluorophenyl)-2-ethoxypropan-1-amine
CID 66071336
2-(4-fluoro-2-methylphenyl)-2-methylbutanenitrile
CID 130133632
2-[(2-chloro-4-fluorophenyl)methyl]-2-methylpentan-1-ol
CID 66025240
1-bromo-2-(2-chloro-4-fluorophenyl)-1,1-difluoropropan-2-ol
CID 107140448
2-(2-butoxy-4-fluorophenyl)-2-methylpropanenitrile
CID 118612758
2-(2-chloro-4-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 63512438

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-2-propylpentanenitrile?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-2-propylpentanenitrile (CID 63540906) is 2-(2-chloro-4-fluorophenyl)-2-propylpentanenitrile.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-2-propylpentanenitrile?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-2-propylpentanenitrile is CCCC(C#N)(CCC)c1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-2-propylpentanenitrile?
The InChIKey is VPJIAQLSGMOGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN/c1-3-7-14(10-17,8-4-2)12-6-5-11(16)9-13(12)15/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-2-propylpentanenitrile?
2-(2-chloro-4-fluorophenyl)-2-propylpentanenitrile has a molecular weight of 253.75 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-2-propylpentanenitrile is sourced from PubChem (CID 63540906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).