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

C10H10F2N2 — CID 102867821

IUPAC2-(1,1-difluoropropan-2-ylamino)benzonitrile
SMILESCC(Nc1ccccc1C#N)C(F)F
InChIInChI=1S/C10H10F2N2/c1-7(10(11)12)14-9-5-3-2-4-8(9)6-13/h2-5,7,10,14H,1H3
InChIKeySOBYSYKVVXZXLB-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.62
Rot. Bonds3

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

2-(1,1-difluoropropan-2-ylamino)benzonitrile (PubChem CID 102867821) has the molecular formula C10H10F2N2 and a molecular weight of 196.20 g/mol. Its IUPAC name is 2-(1,1-difluoropropan-2-ylamino)benzonitrile.

Molecular Properties

Compound Name2-(1,1-difluoropropan-2-ylamino)benzonitrile
PubChem CID102867821
Molecular FormulaC10H10F2N2
Molecular Weight196.20 g/mol
Exact Mass196.08
IUPAC Name2-(1,1-difluoropropan-2-ylamino)benzonitrile
SMILESCC(Nc1ccccc1C#N)C(F)F
InChIInChI=1S/C10H10F2N2/c1-7(10(11)12)14-9-5-3-2-4-8(9)6-13/h2-5,7,10,14H,1H3
InChIKeySOBYSYKVVXZXLB-UHFFFAOYSA-N
XLogP2.62
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-(1,1-difluoropropan-2-ylamino)benzonitrile
CID 107797548
2-(butan-2-ylamino)benzonitrile
CID 43178639
2-(1,1-difluoropropan-2-ylamino)-6-methylbenzonitrile
CID 107803393
2-[1-(2-methylphenyl)ethylamino]benzonitrile
CID 43178628
2-(1-methoxypropan-2-ylamino)benzonitrile
CID 43180296
2-[1-(4-fluorophenyl)propan-2-ylamino]benzonitrile
CID 60966388
2-[1-(2,4,5-trimethylphenyl)ethylamino]benzonitrile
CID 43110526
2-(heptan-2-ylamino)benzonitrile
CID 43100327
2-(nonan-2-ylamino)benzonitrile
CID 43129839
N-(2-cyanophenyl)-2-(propan-2-ylamino)benzamide
CID 63107973
2-(2-cyanoanilino)-N-ethylpropanamide
CID 43086100
N-carbamoyl-2-(2-cyanoanilino)propanamide
CID 43086096

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoropropan-2-ylamino)benzonitrile?
The IUPAC name of 2-(1,1-difluoropropan-2-ylamino)benzonitrile (CID 102867821) is 2-(1,1-difluoropropan-2-ylamino)benzonitrile.
What is the SMILES notation for 2-(1,1-difluoropropan-2-ylamino)benzonitrile?
The canonical SMILES for 2-(1,1-difluoropropan-2-ylamino)benzonitrile is CC(Nc1ccccc1C#N)C(F)F.
What is the InChIKey of 2-(1,1-difluoropropan-2-ylamino)benzonitrile?
The InChIKey is SOBYSYKVVXZXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2/c1-7(10(11)12)14-9-5-3-2-4-8(9)6-13/h2-5,7,10,14H,1H3.
What are the key properties of 2-(1,1-difluoropropan-2-ylamino)benzonitrile?
2-(1,1-difluoropropan-2-ylamino)benzonitrile has a molecular weight of 196.20 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoropropan-2-ylamino)benzonitrile is sourced from PubChem (CID 102867821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).