4-(difluoromethyl)-4-isocyanopiperidine

C7H10F2N2 — CID 84764209

IUPAC4-(difluoromethyl)-4-isocyanopiperidine
SMILES[C-]#[N+]C1(C(F)F)CCNCC1
InChIInChI=1S/C7H10F2N2/c1-10-7(6(8)9)2-4-11-5-3-7/h6,11H,2-5H2
InChIKeyNNJGWTOAXRPZEO-UHFFFAOYSA-N
MW160.17 g/mol
LogP1.29
Rot. Bonds1

About 4-(difluoromethyl)-4-isocyanopiperidine

4-(difluoromethyl)-4-isocyanopiperidine (PubChem CID 84764209) has the molecular formula C7H10F2N2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 4-(difluoromethyl)-4-isocyanopiperidine.

Molecular Properties

Compound Name4-(difluoromethyl)-4-isocyanopiperidine
PubChem CID84764209
Molecular FormulaC7H10F2N2
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name4-(difluoromethyl)-4-isocyanopiperidine
SMILES[C-]#[N+]C1(C(F)F)CCNCC1
InChIInChI=1S/C7H10F2N2/c1-10-7(6(8)9)2-4-11-5-3-7/h6,11H,2-5H2
InChIKeyNNJGWTOAXRPZEO-UHFFFAOYSA-N
XLogP1.29
TPSA16.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(difluoromethyl)-4-isocyanopiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-4-isocyanopiperidine?
The IUPAC name of 4-(difluoromethyl)-4-isocyanopiperidine (CID 84764209) is 4-(difluoromethyl)-4-isocyanopiperidine.
What is the SMILES notation for 4-(difluoromethyl)-4-isocyanopiperidine?
The canonical SMILES for 4-(difluoromethyl)-4-isocyanopiperidine is [C-]#[N+]C1(C(F)F)CCNCC1.
What is the InChIKey of 4-(difluoromethyl)-4-isocyanopiperidine?
The InChIKey is NNJGWTOAXRPZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2/c1-10-7(6(8)9)2-4-11-5-3-7/h6,11H,2-5H2.
What are the key properties of 4-(difluoromethyl)-4-isocyanopiperidine?
4-(difluoromethyl)-4-isocyanopiperidine has a molecular weight of 160.17 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-4-isocyanopiperidine is sourced from PubChem (CID 84764209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).