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

C10H10F2N2 — CID 63668597

IUPAC2-(2,3-difluorophenyl)-2-(ethylamino)acetonitrile
SMILESCCNC(C#N)c1cccc(F)c1F
InChIInChI=1S/C10H10F2N2/c1-2-14-9(6-13)7-4-3-5-8(11)10(7)12/h3-5,9,14H,2H2,1H3
InChIKeyPSAKBCRYPDQNGG-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.14
Rot. Bonds3

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

2-(2,3-difluorophenyl)-2-(ethylamino)acetonitrile (PubChem CID 63668597) has the molecular formula C10H10F2N2 and a molecular weight of 196.20 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-2-(ethylamino)acetonitrile.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-2-(ethylamino)acetonitrile
PubChem CID63668597
Molecular FormulaC10H10F2N2
Molecular Weight196.20 g/mol
Exact Mass196.08
IUPAC Name2-(2,3-difluorophenyl)-2-(ethylamino)acetonitrile
SMILESCCNC(C#N)c1cccc(F)c1F
InChIInChI=1S/C10H10F2N2/c1-2-14-9(6-13)7-4-3-5-8(11)10(7)12/h3-5,9,14H,2H2,1H3
InChIKeyPSAKBCRYPDQNGG-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-difluorophenyl)-2-(2-methylpropylamino)acetonitrile
CID 63669621
2-(2-chlorophenyl)-2-(ethylamino)acetonitrile
CID 25213809
2-(3,4-difluorophenyl)-2-(ethylamino)acetonitrile
CID 43115122
1-(2,3-difluorophenyl)-N-ethyl-2-ethylsulfanylethanamine
CID 65128040
2-(2,3-difluorophenyl)-2-(3-methylanilino)acetonitrile
CID 63669114
1-(2,3-difluorophenyl)-N-ethylpent-3-yn-1-amine
CID 115819469
2-tert-butylsulfanyl-1-(2,3-difluorophenyl)-N-ethylethanamine
CID 65132740
2-bromo-2-(2,3-difluorophenyl)acetonitrile
CID 83086922
2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetonitrile
CID 54889234
N-[(5-bromo-2-fluorophenyl)-(2,3-difluorophenyl)methyl]ethanamine
CID 114894890
2-(3-bromoanilino)-2-(2,3-difluorophenyl)acetonitrile
CID 55234730
N-[(2,5-dibromophenyl)-(2,3-difluorophenyl)methyl]ethanamine
CID 63509311

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-2-(ethylamino)acetonitrile?
The IUPAC name of 2-(2,3-difluorophenyl)-2-(ethylamino)acetonitrile (CID 63668597) is 2-(2,3-difluorophenyl)-2-(ethylamino)acetonitrile.
What is the SMILES notation for 2-(2,3-difluorophenyl)-2-(ethylamino)acetonitrile?
The canonical SMILES for 2-(2,3-difluorophenyl)-2-(ethylamino)acetonitrile is CCNC(C#N)c1cccc(F)c1F.
What is the InChIKey of 2-(2,3-difluorophenyl)-2-(ethylamino)acetonitrile?
The InChIKey is PSAKBCRYPDQNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2/c1-2-14-9(6-13)7-4-3-5-8(11)10(7)12/h3-5,9,14H,2H2,1H3.
What are the key properties of 2-(2,3-difluorophenyl)-2-(ethylamino)acetonitrile?
2-(2,3-difluorophenyl)-2-(ethylamino)acetonitrile has a molecular weight of 196.20 g/mol, XLogP of 2.14, 3 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-(ethylamino)acetonitrile is sourced from PubChem (CID 63668597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).