2-[2-(3,5-difluorophenyl)ethylamino]acetonitrile

C10H10F2N2 — CID 62615420

IUPAC2-[2-(3,5-difluorophenyl)ethylamino]acetonitrile
SMILESN#CCNCCc1cc(F)cc(F)c1
InChIInChI=1S/C10H10F2N2/c11-9-5-8(6-10(12)7-9)1-3-14-4-2-13/h5-7,14H,1,3-4H2
InChIKeyGKNBECINQJMFST-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.62
Rot. Bonds4

About 2-[2-(3,5-difluorophenyl)ethylamino]acetonitrile

2-[2-(3,5-difluorophenyl)ethylamino]acetonitrile (PubChem CID 62615420) has the molecular formula C10H10F2N2 and a molecular weight of 196.20 g/mol. Its IUPAC name is 2-[2-(3,5-difluorophenyl)ethylamino]acetonitrile.

Molecular Properties

Compound Name2-[2-(3,5-difluorophenyl)ethylamino]acetonitrile
PubChem CID62615420
Molecular FormulaC10H10F2N2
Molecular Weight196.20 g/mol
Exact Mass196.08
IUPAC Name2-[2-(3,5-difluorophenyl)ethylamino]acetonitrile
SMILESN#CCNCCc1cc(F)cc(F)c1
InChIInChI=1S/C10H10F2N2/c11-9-5-8(6-10(12)7-9)1-3-14-4-2-13/h5-7,14H,1,3-4H2
InChIKeyGKNBECINQJMFST-UHFFFAOYSA-N
XLogP1.62
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

3-[2-(3,5-difluorophenyl)ethylamino]-2-methylpropanenitrile
CID 62615603
2-[2-(3,5-difluorophenyl)ethylamino]ethanol
CID 62603879
N-[2-(3,5-difluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 64554825
N-[2-(3,5-difluorophenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 114525148
2-(3,5-difluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 62616300
methyl 4-[2-(3,5-difluorophenyl)ethylamino]butanoate
CID 62615955
2-[2-(4-methoxyphenyl)ethylamino]acetonitrile
CID 28574147
5-[2-(3,5-difluorophenyl)ethylamino]pentan-1-ol
CID 62603706
2-(3,5-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 62315705
2-(3,5-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 62316053
2-(3,5-difluorophenyl)-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 62316403
3-[2-(3,5-difluorophenyl)ethylamino]propanamide
CID 62605689

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-difluorophenyl)ethylamino]acetonitrile?
The IUPAC name of 2-[2-(3,5-difluorophenyl)ethylamino]acetonitrile (CID 62615420) is 2-[2-(3,5-difluorophenyl)ethylamino]acetonitrile.
What is the SMILES notation for 2-[2-(3,5-difluorophenyl)ethylamino]acetonitrile?
The canonical SMILES for 2-[2-(3,5-difluorophenyl)ethylamino]acetonitrile is N#CCNCCc1cc(F)cc(F)c1.
What is the InChIKey of 2-[2-(3,5-difluorophenyl)ethylamino]acetonitrile?
The InChIKey is GKNBECINQJMFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2/c11-9-5-8(6-10(12)7-9)1-3-14-4-2-13/h5-7,14H,1,3-4H2.
What are the key properties of 2-[2-(3,5-difluorophenyl)ethylamino]acetonitrile?
2-[2-(3,5-difluorophenyl)ethylamino]acetonitrile has a molecular weight of 196.20 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-difluorophenyl)ethylamino]acetonitrile is sourced from PubChem (CID 62615420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).