2-[[1-(4-fluorophenyl)cyclopropyl]amino]acetonitrile

C11H11FN2 — CID 126782171

IUPAC2-[[1-(4-fluorophenyl)cyclopropyl]amino]acetonitrile
SMILESN#CCNC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C11H11FN2/c12-10-3-1-9(2-4-10)11(5-6-11)14-8-7-13/h1-4,14H,5-6,8H2
InChIKeyKXVSYWWYYUZNDZ-UHFFFAOYSA-N
MW190.22 g/mol
LogP1.93
Rot. Bonds3

About 2-[[1-(4-fluorophenyl)cyclopropyl]amino]acetonitrile

2-[[1-(4-fluorophenyl)cyclopropyl]amino]acetonitrile (PubChem CID 126782171) has the molecular formula C11H11FN2 and a molecular weight of 190.22 g/mol. Its IUPAC name is 2-[[1-(4-fluorophenyl)cyclopropyl]amino]acetonitrile.

Molecular Properties

Compound Name2-[[1-(4-fluorophenyl)cyclopropyl]amino]acetonitrile
PubChem CID126782171
Molecular FormulaC11H11FN2
Molecular Weight190.22 g/mol
Exact Mass190.09
IUPAC Name2-[[1-(4-fluorophenyl)cyclopropyl]amino]acetonitrile
SMILESN#CCNC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C11H11FN2/c12-10-3-1-9(2-4-10)11(5-6-11)14-8-7-13/h1-4,14H,5-6,8H2
InChIKeyKXVSYWWYYUZNDZ-UHFFFAOYSA-N
XLogP1.93
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-fluorophenyl)cyclopropyl]amino]acetonitrile?
The IUPAC name of 2-[[1-(4-fluorophenyl)cyclopropyl]amino]acetonitrile (CID 126782171) is 2-[[1-(4-fluorophenyl)cyclopropyl]amino]acetonitrile.
What is the SMILES notation for 2-[[1-(4-fluorophenyl)cyclopropyl]amino]acetonitrile?
The canonical SMILES for 2-[[1-(4-fluorophenyl)cyclopropyl]amino]acetonitrile is N#CCNC1(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[[1-(4-fluorophenyl)cyclopropyl]amino]acetonitrile?
The InChIKey is KXVSYWWYYUZNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2/c12-10-3-1-9(2-4-10)11(5-6-11)14-8-7-13/h1-4,14H,5-6,8H2.
What are the key properties of 2-[[1-(4-fluorophenyl)cyclopropyl]amino]acetonitrile?
2-[[1-(4-fluorophenyl)cyclopropyl]amino]acetonitrile has a molecular weight of 190.22 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-fluorophenyl)cyclopropyl]amino]acetonitrile is sourced from PubChem (CID 126782171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).