2-chloro-5-(1,1-difluoropropan-2-ylamino)benzonitrile

C10H9ClF2N2 — CID 102868440

IUPAC2-chloro-5-(1,1-difluoropropan-2-ylamino)benzonitrile
SMILESCC(Nc1ccc(Cl)c(C#N)c1)C(F)F
InChIInChI=1S/C10H9ClF2N2/c1-6(10(12)13)15-8-2-3-9(11)7(4-8)5-14/h2-4,6,10,15H,1H3
InChIKeyRDLVBIZISYWJJS-UHFFFAOYSA-N
MW230.65 g/mol
LogP3.28
Rot. Bonds3

About 2-chloro-5-(1,1-difluoropropan-2-ylamino)benzonitrile

2-chloro-5-(1,1-difluoropropan-2-ylamino)benzonitrile (PubChem CID 102868440) has the molecular formula C10H9ClF2N2 and a molecular weight of 230.65 g/mol. Its IUPAC name is 2-chloro-5-(1,1-difluoropropan-2-ylamino)benzonitrile.

Molecular Properties

Compound Name2-chloro-5-(1,1-difluoropropan-2-ylamino)benzonitrile
PubChem CID102868440
Molecular FormulaC10H9ClF2N2
Molecular Weight230.65 g/mol
Exact Mass230.04
IUPAC Name2-chloro-5-(1,1-difluoropropan-2-ylamino)benzonitrile
SMILESCC(Nc1ccc(Cl)c(C#N)c1)C(F)F
InChIInChI=1S/C10H9ClF2N2/c1-6(10(12)13)15-8-2-3-9(11)7(4-8)5-14/h2-4,6,10,15H,1H3
InChIKeyRDLVBIZISYWJJS-UHFFFAOYSA-N
XLogP3.28
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-chloro-5-[1-(3-cyanophenyl)ethylamino]benzonitrile
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2-chloro-5-(2-methylpropylamino)benzonitrile
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2-chloro-5-[1-(4-fluoro-3-methoxyphenyl)ethylamino]benzonitrile
CID 83060054
4-chloro-N-(1,1-difluoropropan-2-yl)aniline
CID 102867820
2-chloro-5-[1-(2-fluorophenyl)propylamino]benzonitrile
CID 115994254
2-chloro-5-[1-(3-methoxyphenyl)ethylamino]benzonitrile
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4-[1-(3,4-dichlorophenyl)ethylamino]benzene-1,2-dicarbonitrile
CID 107788207
2-amino-N-(4-chloro-3-cyanophenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1,1-difluoropropan-2-ylamino)benzonitrile?
The IUPAC name of 2-chloro-5-(1,1-difluoropropan-2-ylamino)benzonitrile (CID 102868440) is 2-chloro-5-(1,1-difluoropropan-2-ylamino)benzonitrile.
What is the SMILES notation for 2-chloro-5-(1,1-difluoropropan-2-ylamino)benzonitrile?
The canonical SMILES for 2-chloro-5-(1,1-difluoropropan-2-ylamino)benzonitrile is CC(Nc1ccc(Cl)c(C#N)c1)C(F)F.
What is the InChIKey of 2-chloro-5-(1,1-difluoropropan-2-ylamino)benzonitrile?
The InChIKey is RDLVBIZISYWJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2N2/c1-6(10(12)13)15-8-2-3-9(11)7(4-8)5-14/h2-4,6,10,15H,1H3.
What are the key properties of 2-chloro-5-(1,1-difluoropropan-2-ylamino)benzonitrile?
2-chloro-5-(1,1-difluoropropan-2-ylamino)benzonitrile has a molecular weight of 230.65 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1,1-difluoropropan-2-ylamino)benzonitrile is sourced from PubChem (CID 102868440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).