2-(4-fluorophenyl)-2-(propylamino)acetonitrile

C11H13FN2 — CID 43115180

IUPAC2-(4-fluorophenyl)-2-(propylamino)acetonitrile
SMILESCCCNC(C#N)c1ccc(F)cc1
InChIInChI=1S/C11H13FN2/c1-2-7-14-11(8-13)9-3-5-10(12)6-4-9/h3-6,11,14H,2,7H2,1H3
InChIKeyGPFGICIDGQAACC-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.39
Rot. Bonds4

About 2-(4-fluorophenyl)-2-(propylamino)acetonitrile

2-(4-fluorophenyl)-2-(propylamino)acetonitrile (PubChem CID 43115180) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-(propylamino)acetonitrile.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-(propylamino)acetonitrile
PubChem CID43115180
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name2-(4-fluorophenyl)-2-(propylamino)acetonitrile
SMILESCCCNC(C#N)c1ccc(F)cc1
InChIInChI=1S/C11H13FN2/c1-2-7-14-11(8-13)9-3-5-10(12)6-4-9/h3-6,11,14H,2,7H2,1H3
InChIKeyGPFGICIDGQAACC-UHFFFAOYSA-N
XLogP2.39
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetonitrile
CID 62121158
2-(3-chloro-4-fluorophenyl)-2-(propylamino)acetonitrile
CID 81145776
2-(3-bromo-4-fluorophenyl)-2-(propylamino)acetonitrile
CID 43115216
2-[4-(diethylaminomethyl)phenyl]-2-(propylamino)acetonitrile
CID 84816523
2-(4-ethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile
CID 82019969
N-[3-[[cyano-(4-fluorophenyl)methyl]amino]propyl]acetamide
CID 84817840
N-[bis(4-fluorophenyl)methyl]propan-1-amine
CID 43389379
2-[2-(4-fluorophenyl)ethylamino]-2-(4-hydroxyphenyl)acetonitrile
CID 84817722
2-(4-chlorophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile
CID 82019907
ethyl 2-[[cyano-(4-fluorophenyl)methyl]amino]acetate
CID 112500750
2-(butylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile
CID 84816571
1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-(propylamino)acetonitrile?
The IUPAC name of 2-(4-fluorophenyl)-2-(propylamino)acetonitrile (CID 43115180) is 2-(4-fluorophenyl)-2-(propylamino)acetonitrile.
What is the SMILES notation for 2-(4-fluorophenyl)-2-(propylamino)acetonitrile?
The canonical SMILES for 2-(4-fluorophenyl)-2-(propylamino)acetonitrile is CCCNC(C#N)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-(propylamino)acetonitrile?
The InChIKey is GPFGICIDGQAACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c1-2-7-14-11(8-13)9-3-5-10(12)6-4-9/h3-6,11,14H,2,7H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-2-(propylamino)acetonitrile?
2-(4-fluorophenyl)-2-(propylamino)acetonitrile has a molecular weight of 192.24 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-(propylamino)acetonitrile is sourced from PubChem (CID 43115180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).