2-(2,3-difluorophenyl)-2-(2-methylpropylamino)acetonitrile

C12H14F2N2 — CID 63669621

IUPAC2-(2,3-difluorophenyl)-2-(2-methylpropylamino)acetonitrile
SMILESCC(C)CNC(C#N)c1cccc(F)c1F
InChIInChI=1S/C12H14F2N2/c1-8(2)7-16-11(6-15)9-4-3-5-10(13)12(9)14/h3-5,8,11,16H,7H2,1-2H3
InChIKeyDHPWPNYPIITFEZ-UHFFFAOYSA-N
MW224.25 g/mol
LogP2.78
Rot. Bonds4

About 2-(2,3-difluorophenyl)-2-(2-methylpropylamino)acetonitrile

2-(2,3-difluorophenyl)-2-(2-methylpropylamino)acetonitrile (PubChem CID 63669621) has the molecular formula C12H14F2N2 and a molecular weight of 224.25 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-2-(2-methylpropylamino)acetonitrile.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-2-(2-methylpropylamino)acetonitrile
PubChem CID63669621
Molecular FormulaC12H14F2N2
Molecular Weight224.25 g/mol
Exact Mass224.11
IUPAC Name2-(2,3-difluorophenyl)-2-(2-methylpropylamino)acetonitrile
SMILESCC(C)CNC(C#N)c1cccc(F)c1F
InChIInChI=1S/C12H14F2N2/c1-8(2)7-16-11(6-15)9-4-3-5-10(13)12(9)14/h3-5,8,11,16H,7H2,1-2H3
InChIKeyDHPWPNYPIITFEZ-UHFFFAOYSA-N
XLogP2.78
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-difluorophenyl)-2-(ethylamino)acetonitrile
CID 63668597
2-(2,3-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 63667429
2-(2-methylpropylamino)-2-[2-(trifluoromethoxy)phenyl]acetonitrile
CID 54887277
2-(2,3-dimethoxyphenyl)-2-(2-methylpropylamino)acetonitrile
CID 54887599
2-(2,3-difluorophenyl)-2-(2-methylpropylamino)acetic acid
CID 63667753
2-(2-methylpropylamino)-2-quinolin-8-ylacetonitrile
CID 63967901
2-(2,3-difluorophenyl)-2-(3-methylanilino)acetonitrile
CID 63669114
2-(3-ethoxyphenyl)-2-(2-methylpropylamino)acetonitrile
CID 54887188
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(2-methylpropylamino)acetonitrile
CID 64509300
2-bromo-2-(2,3-difluorophenyl)acetonitrile
CID 83086922
2-(3-bromoanilino)-2-(2,3-difluorophenyl)acetonitrile
CID 55234730
2-(2-fluorophenyl)-2-[(2-fluorophenyl)methylamino]acetonitrile
CID 82019759

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-2-(2-methylpropylamino)acetonitrile?
The IUPAC name of 2-(2,3-difluorophenyl)-2-(2-methylpropylamino)acetonitrile (CID 63669621) is 2-(2,3-difluorophenyl)-2-(2-methylpropylamino)acetonitrile.
What is the SMILES notation for 2-(2,3-difluorophenyl)-2-(2-methylpropylamino)acetonitrile?
The canonical SMILES for 2-(2,3-difluorophenyl)-2-(2-methylpropylamino)acetonitrile is CC(C)CNC(C#N)c1cccc(F)c1F.
What is the InChIKey of 2-(2,3-difluorophenyl)-2-(2-methylpropylamino)acetonitrile?
The InChIKey is DHPWPNYPIITFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2/c1-8(2)7-16-11(6-15)9-4-3-5-10(13)12(9)14/h3-5,8,11,16H,7H2,1-2H3.
What are the key properties of 2-(2,3-difluorophenyl)-2-(2-methylpropylamino)acetonitrile?
2-(2,3-difluorophenyl)-2-(2-methylpropylamino)acetonitrile has a molecular weight of 224.25 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-2-(2-methylpropylamino)acetonitrile is sourced from PubChem (CID 63669621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).