1-(1-fluoroethyl)-2-(isocyanomethyl)cyclopentane

C9H14FN — CID 84763631

IUPAC1-(1-fluoroethyl)-2-(isocyanomethyl)cyclopentane
SMILES[C-]#[N+]CC1CCCC1C(C)F
InChIInChI=1S/C9H14FN/c1-7(10)9-5-3-4-8(9)6-11-2/h7-9H,3-6H2,1H3
InChIKeyPSJQTTXBEICOBC-UHFFFAOYSA-N
MW155.22 g/mol
LogP2.68
Rot. Bonds2

About 1-(1-fluoroethyl)-2-(isocyanomethyl)cyclopentane

1-(1-fluoroethyl)-2-(isocyanomethyl)cyclopentane (PubChem CID 84763631) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is 1-(1-fluoroethyl)-2-(isocyanomethyl)cyclopentane.

Molecular Properties

Compound Name1-(1-fluoroethyl)-2-(isocyanomethyl)cyclopentane
PubChem CID84763631
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name1-(1-fluoroethyl)-2-(isocyanomethyl)cyclopentane
SMILES[C-]#[N+]CC1CCCC1C(C)F
InChIInChI=1S/C9H14FN/c1-7(10)9-5-3-4-8(9)6-11-2/h7-9H,3-6H2,1H3
InChIKeyPSJQTTXBEICOBC-UHFFFAOYSA-N
XLogP2.68
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoroethyl)-2-(isocyanomethyl)cyclopentane?
The IUPAC name of 1-(1-fluoroethyl)-2-(isocyanomethyl)cyclopentane (CID 84763631) is 1-(1-fluoroethyl)-2-(isocyanomethyl)cyclopentane.
What is the SMILES notation for 1-(1-fluoroethyl)-2-(isocyanomethyl)cyclopentane?
The canonical SMILES for 1-(1-fluoroethyl)-2-(isocyanomethyl)cyclopentane is [C-]#[N+]CC1CCCC1C(C)F.
What is the InChIKey of 1-(1-fluoroethyl)-2-(isocyanomethyl)cyclopentane?
The InChIKey is PSJQTTXBEICOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN/c1-7(10)9-5-3-4-8(9)6-11-2/h7-9H,3-6H2,1H3.
What are the key properties of 1-(1-fluoroethyl)-2-(isocyanomethyl)cyclopentane?
1-(1-fluoroethyl)-2-(isocyanomethyl)cyclopentane has a molecular weight of 155.22 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoroethyl)-2-(isocyanomethyl)cyclopentane is sourced from PubChem (CID 84763631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).