(1-fluoro-3-isocyanopropyl)cyclopentane

C9H14FN — CID 84763637

IUPAC(1-fluoro-3-isocyanopropyl)cyclopentane
SMILES[C-]#[N+]CCC(F)C1CCCC1
InChIInChI=1S/C9H14FN/c1-11-7-6-9(10)8-4-2-3-5-8/h8-9H,2-7H2
InChIKeyCMANTJXOJJEXSB-UHFFFAOYSA-N
MW155.22 g/mol
LogP2.82
Rot. Bonds3

About (1-fluoro-3-isocyanopropyl)cyclopentane

(1-fluoro-3-isocyanopropyl)cyclopentane (PubChem CID 84763637) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is (1-fluoro-3-isocyanopropyl)cyclopentane.

Molecular Properties

Compound Name(1-fluoro-3-isocyanopropyl)cyclopentane
PubChem CID84763637
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name(1-fluoro-3-isocyanopropyl)cyclopentane
SMILES[C-]#[N+]CCC(F)C1CCCC1
InChIInChI=1S/C9H14FN/c1-11-7-6-9(10)8-4-2-3-5-8/h8-9H,2-7H2
InChIKeyCMANTJXOJJEXSB-UHFFFAOYSA-N
XLogP2.82
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.82
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-fluoro-3-isocyanopropyl)cyclopentane?
The IUPAC name of (1-fluoro-3-isocyanopropyl)cyclopentane (CID 84763637) is (1-fluoro-3-isocyanopropyl)cyclopentane.
What is the SMILES notation for (1-fluoro-3-isocyanopropyl)cyclopentane?
The canonical SMILES for (1-fluoro-3-isocyanopropyl)cyclopentane is [C-]#[N+]CCC(F)C1CCCC1.
What is the InChIKey of (1-fluoro-3-isocyanopropyl)cyclopentane?
The InChIKey is CMANTJXOJJEXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN/c1-11-7-6-9(10)8-4-2-3-5-8/h8-9H,2-7H2.
What are the key properties of (1-fluoro-3-isocyanopropyl)cyclopentane?
(1-fluoro-3-isocyanopropyl)cyclopentane has a molecular weight of 155.22 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluoro-3-isocyanopropyl)cyclopentane is sourced from PubChem (CID 84763637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).