(2E)-2-(2-fluorocyclopentylidene)acetonitrile

C7H8FN — CID 170905108

IUPAC(2E)-2-(2-fluorocyclopentylidene)acetonitrile
SMILESN#C/C=C1\CCCC1F
InChIInChI=1S/C7H8FN/c8-7-3-1-2-6(7)4-5-9/h4,7H,1-3H2/b6-4+
InChIKeyOAZMFTRBDHEVSL-GQCTYLIASA-N
MW125.15 g/mol
LogP1.96
Rot. Bonds

About (2E)-2-(2-fluorocyclopentylidene)acetonitrile

(2E)-2-(2-fluorocyclopentylidene)acetonitrile (PubChem CID 170905108) has the molecular formula C7H8FN and a molecular weight of 125.15 g/mol. Its IUPAC name is (2E)-2-(2-fluorocyclopentylidene)acetonitrile.

Molecular Properties

Compound Name(2E)-2-(2-fluorocyclopentylidene)acetonitrile
PubChem CID170905108
Molecular FormulaC7H8FN
Molecular Weight125.15 g/mol
Exact Mass125.06
IUPAC Name(2E)-2-(2-fluorocyclopentylidene)acetonitrile
SMILESN#C/C=C1\CCCC1F
InChIInChI=1S/C7H8FN/c8-7-3-1-2-6(7)4-5-9/h4,7H,1-3H2/b6-4+
InChIKeyOAZMFTRBDHEVSL-GQCTYLIASA-N
XLogP1.96
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.15
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(2-fluorocyclopentylidene)acetonitrile?
The IUPAC name of (2E)-2-(2-fluorocyclopentylidene)acetonitrile (CID 170905108) is (2E)-2-(2-fluorocyclopentylidene)acetonitrile.
What is the SMILES notation for (2E)-2-(2-fluorocyclopentylidene)acetonitrile?
The canonical SMILES for (2E)-2-(2-fluorocyclopentylidene)acetonitrile is N#C/C=C1\CCCC1F.
What is the InChIKey of (2E)-2-(2-fluorocyclopentylidene)acetonitrile?
The InChIKey is OAZMFTRBDHEVSL-GQCTYLIASA-N. The full InChI is InChI=1S/C7H8FN/c8-7-3-1-2-6(7)4-5-9/h4,7H,1-3H2/b6-4+.
What are the key properties of (2E)-2-(2-fluorocyclopentylidene)acetonitrile?
(2E)-2-(2-fluorocyclopentylidene)acetonitrile has a molecular weight of 125.15 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(2-fluorocyclopentylidene)acetonitrile is sourced from PubChem (CID 170905108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).