2-(5-chloro-2-fluorophenyl)-2-(2-hydroxyethylamino)acetonitrile

C10H10ClFN2O — CID 114843588

IUPAC2-(5-chloro-2-fluorophenyl)-2-(2-hydroxyethylamino)acetonitrile
SMILESN#CC(NCCO)c1cc(Cl)ccc1F
InChIInChI=1S/C10H10ClFN2O/c11-7-1-2-9(12)8(5-7)10(6-13)14-3-4-15/h1-2,5,10,14-15H,3-4H2
InChIKeyFMWRPONZQUCXLG-UHFFFAOYSA-N
MW228.65 g/mol
LogP1.63
Rot. Bonds4

About 2-(5-chloro-2-fluorophenyl)-2-(2-hydroxyethylamino)acetonitrile

2-(5-chloro-2-fluorophenyl)-2-(2-hydroxyethylamino)acetonitrile (PubChem CID 114843588) has the molecular formula C10H10ClFN2O and a molecular weight of 228.65 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-2-(2-hydroxyethylamino)acetonitrile.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-2-(2-hydroxyethylamino)acetonitrile
PubChem CID114843588
Molecular FormulaC10H10ClFN2O
Molecular Weight228.65 g/mol
Exact Mass228.05
IUPAC Name2-(5-chloro-2-fluorophenyl)-2-(2-hydroxyethylamino)acetonitrile
SMILESN#CC(NCCO)c1cc(Cl)ccc1F
InChIInChI=1S/C10H10ClFN2O/c11-7-1-2-9(12)8(5-7)10(6-13)14-3-4-15/h1-2,5,10,14-15H,3-4H2
InChIKeyFMWRPONZQUCXLG-UHFFFAOYSA-N
XLogP1.63
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.65
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-azidopropylamino)-2-(5-chloro-2-fluorophenyl)acetonitrile
CID 114843593
2-(4-fluoro-3-methylphenyl)-2-(2-hydroxyethylamino)acetonitrile
CID 62587497
2-(butan-2-ylamino)-2-(5-chloro-2-fluorophenyl)acetonitrile
CID 114843576
2-(2-bromo-5-chlorophenyl)-2-(propylamino)acetonitrile
CID 66157448
2-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)acetonitrile
CID 62585695
2-(butylamino)-2-(2,4-dichlorophenyl)acetonitrile
CID 82020095
2-(2,4-dichlorophenyl)-2-(3-methylbutylamino)acetonitrile
CID 82020101
2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetonitrile
CID 114843485
(2R)-2-amino-2-(5-chloro-2-fluorophenyl)acetonitrile
CID 130634473
5-[cyano-(3-hydroxypropylamino)methyl]-2-fluorobenzonitrile
CID 114018008
2-(4-bromo-2-fluorophenyl)-2-(propylamino)acetonitrile
CID 43364620
2-(3-chloro-4-fluorophenyl)-2-(propylamino)acetonitrile
CID 81145776

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-2-(2-hydroxyethylamino)acetonitrile?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-2-(2-hydroxyethylamino)acetonitrile (CID 114843588) is 2-(5-chloro-2-fluorophenyl)-2-(2-hydroxyethylamino)acetonitrile.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-2-(2-hydroxyethylamino)acetonitrile?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-2-(2-hydroxyethylamino)acetonitrile is N#CC(NCCO)c1cc(Cl)ccc1F.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-2-(2-hydroxyethylamino)acetonitrile?
The InChIKey is FMWRPONZQUCXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2O/c11-7-1-2-9(12)8(5-7)10(6-13)14-3-4-15/h1-2,5,10,14-15H,3-4H2.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-2-(2-hydroxyethylamino)acetonitrile?
2-(5-chloro-2-fluorophenyl)-2-(2-hydroxyethylamino)acetonitrile has a molecular weight of 228.65 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-2-(2-hydroxyethylamino)acetonitrile is sourced from PubChem (CID 114843588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).