1,1-difluoro-3-(isocyanomethyl)cyclopentane

C7H9F2N — CID 84762867

IUPAC1,1-difluoro-3-(isocyanomethyl)cyclopentane
SMILES[C-]#[N+]CC1CCC(F)(F)C1
InChIInChI=1S/C7H9F2N/c1-10-5-6-2-3-7(8,9)4-6/h6H,2-5H2
InChIKeyJRGDSENNESJLKY-UHFFFAOYSA-N
MW145.15 g/mol
LogP2.34
Rot. Bonds1

About 1,1-difluoro-3-(isocyanomethyl)cyclopentane

1,1-difluoro-3-(isocyanomethyl)cyclopentane (PubChem CID 84762867) has the molecular formula C7H9F2N and a molecular weight of 145.15 g/mol. Its IUPAC name is 1,1-difluoro-3-(isocyanomethyl)cyclopentane.

Molecular Properties

Compound Name1,1-difluoro-3-(isocyanomethyl)cyclopentane
PubChem CID84762867
Molecular FormulaC7H9F2N
Molecular Weight145.15 g/mol
Exact Mass145.07
IUPAC Name1,1-difluoro-3-(isocyanomethyl)cyclopentane
SMILES[C-]#[N+]CC1CCC(F)(F)C1
InChIInChI=1S/C7H9F2N/c1-10-5-6-2-3-7(8,9)4-6/h6H,2-5H2
InChIKeyJRGDSENNESJLKY-UHFFFAOYSA-N
XLogP2.34
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.15
LogP ≤ 52.34
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-difluoro-3-(isocyanomethyl)cyclopentane?
The IUPAC name of 1,1-difluoro-3-(isocyanomethyl)cyclopentane (CID 84762867) is 1,1-difluoro-3-(isocyanomethyl)cyclopentane.
What is the SMILES notation for 1,1-difluoro-3-(isocyanomethyl)cyclopentane?
The canonical SMILES for 1,1-difluoro-3-(isocyanomethyl)cyclopentane is [C-]#[N+]CC1CCC(F)(F)C1.
What is the InChIKey of 1,1-difluoro-3-(isocyanomethyl)cyclopentane?
The InChIKey is JRGDSENNESJLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N/c1-10-5-6-2-3-7(8,9)4-6/h6H,2-5H2.
What are the key properties of 1,1-difluoro-3-(isocyanomethyl)cyclopentane?
1,1-difluoro-3-(isocyanomethyl)cyclopentane has a molecular weight of 145.15 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-(isocyanomethyl)cyclopentane is sourced from PubChem (CID 84762867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).