1-(difluoromethoxy)-2-isocyanocyclopentane

C7H9F2NO — CID 84764306

IUPAC1-(difluoromethoxy)-2-isocyanocyclopentane
SMILES[C-]#[N+]C1CCCC1OC(F)F
InChIInChI=1S/C7H9F2NO/c1-10-5-3-2-4-6(5)11-7(8)9/h5-7H,2-4H2
InChIKeyKDMGPUUEGJLOJT-UHFFFAOYSA-N
MW161.15 g/mol
LogP2.07
Rot. Bonds2

About 1-(difluoromethoxy)-2-isocyanocyclopentane

1-(difluoromethoxy)-2-isocyanocyclopentane (PubChem CID 84764306) has the molecular formula C7H9F2NO and a molecular weight of 161.15 g/mol. Its IUPAC name is 1-(difluoromethoxy)-2-isocyanocyclopentane.

Molecular Properties

Compound Name1-(difluoromethoxy)-2-isocyanocyclopentane
PubChem CID84764306
Molecular FormulaC7H9F2NO
Molecular Weight161.15 g/mol
Exact Mass161.07
IUPAC Name1-(difluoromethoxy)-2-isocyanocyclopentane
SMILES[C-]#[N+]C1CCCC1OC(F)F
InChIInChI=1S/C7H9F2NO/c1-10-5-3-2-4-6(5)11-7(8)9/h5-7H,2-4H2
InChIKeyKDMGPUUEGJLOJT-UHFFFAOYSA-N
XLogP2.07
TPSA13.59 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.15
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(difluoromethoxy)-2-isocyanocyclopentane?
The IUPAC name of 1-(difluoromethoxy)-2-isocyanocyclopentane (CID 84764306) is 1-(difluoromethoxy)-2-isocyanocyclopentane.
What is the SMILES notation for 1-(difluoromethoxy)-2-isocyanocyclopentane?
The canonical SMILES for 1-(difluoromethoxy)-2-isocyanocyclopentane is [C-]#[N+]C1CCCC1OC(F)F.
What is the InChIKey of 1-(difluoromethoxy)-2-isocyanocyclopentane?
The InChIKey is KDMGPUUEGJLOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NO/c1-10-5-3-2-4-6(5)11-7(8)9/h5-7H,2-4H2.
What are the key properties of 1-(difluoromethoxy)-2-isocyanocyclopentane?
1-(difluoromethoxy)-2-isocyanocyclopentane has a molecular weight of 161.15 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-2-isocyanocyclopentane is sourced from PubChem (CID 84764306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).