2-[4-(1,1-difluoropropan-2-ylamino)phenyl]acetonitrile

C11H12F2N2 — CID 102868708

IUPAC2-[4-(1,1-difluoropropan-2-ylamino)phenyl]acetonitrile
SMILESCC(Nc1ccc(CC#N)cc1)C(F)F
InChIInChI=1S/C11H12F2N2/c1-8(11(12)13)15-10-4-2-9(3-5-10)6-7-14/h2-5,8,11,15H,6H2,1H3
InChIKeyCDYXRPQRQGNLNX-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.82
Rot. Bonds4

About 2-[4-(1,1-difluoropropan-2-ylamino)phenyl]acetonitrile

2-[4-(1,1-difluoropropan-2-ylamino)phenyl]acetonitrile (PubChem CID 102868708) has the molecular formula C11H12F2N2 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-[4-(1,1-difluoropropan-2-ylamino)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(1,1-difluoropropan-2-ylamino)phenyl]acetonitrile
PubChem CID102868708
Molecular FormulaC11H12F2N2
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-[4-(1,1-difluoropropan-2-ylamino)phenyl]acetonitrile
SMILESCC(Nc1ccc(CC#N)cc1)C(F)F
InChIInChI=1S/C11H12F2N2/c1-8(11(12)13)15-10-4-2-9(3-5-10)6-7-14/h2-5,8,11,15H,6H2,1H3
InChIKeyCDYXRPQRQGNLNX-UHFFFAOYSA-N
XLogP2.82
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(3-methylbutan-2-ylamino)phenyl]acetonitrile
CID 43722269
2-[4-(cyanomethyl)anilino]butanenitrile
CID 62303541
2-[4-(hexan-2-ylamino)phenyl]acetonitrile
CID 43786419
2-[4-(1,1-difluoropropan-2-ylamino)phenyl]-2-methylpropanenitrile
CID 102868301
2-[4-[1-(4-chlorophenyl)ethylamino]phenyl]acetonitrile
CID 43722208
2-[4-(1-pyridin-4-ylethylamino)phenyl]acetonitrile
CID 43722275
2-[4-[1-(4-bromophenyl)ethylamino]phenyl]acetonitrile
CID 43722207
2-[4-[4-(cyanomethyl)anilino]phenyl]acetonitrile
CID 170886404
2-[4-[1-(5-methylfuran-2-yl)ethylamino]phenyl]acetonitrile
CID 43722297
2-[4-[1-(2,4,5-trimethylphenyl)ethylamino]phenyl]acetonitrile
CID 43722122
N-(1,1-difluoropropan-2-yl)-4-iodoaniline
CID 102868199
2-[4-(cyanomethylamino)phenyl]acetonitrile
CID 60720877

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,1-difluoropropan-2-ylamino)phenyl]acetonitrile?
The IUPAC name of 2-[4-(1,1-difluoropropan-2-ylamino)phenyl]acetonitrile (CID 102868708) is 2-[4-(1,1-difluoropropan-2-ylamino)phenyl]acetonitrile.
What is the SMILES notation for 2-[4-(1,1-difluoropropan-2-ylamino)phenyl]acetonitrile?
The canonical SMILES for 2-[4-(1,1-difluoropropan-2-ylamino)phenyl]acetonitrile is CC(Nc1ccc(CC#N)cc1)C(F)F.
What is the InChIKey of 2-[4-(1,1-difluoropropan-2-ylamino)phenyl]acetonitrile?
The InChIKey is CDYXRPQRQGNLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2/c1-8(11(12)13)15-10-4-2-9(3-5-10)6-7-14/h2-5,8,11,15H,6H2,1H3.
What are the key properties of 2-[4-(1,1-difluoropropan-2-ylamino)phenyl]acetonitrile?
2-[4-(1,1-difluoropropan-2-ylamino)phenyl]acetonitrile has a molecular weight of 210.23 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,1-difluoropropan-2-ylamino)phenyl]acetonitrile is sourced from PubChem (CID 102868708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).