N-(3-amino-2,2-difluoropropyl)cyclohex-3-ene-1-carboxamide

C10H16F2N2O — CID 114383463

IUPACN-(3-amino-2,2-difluoropropyl)cyclohex-3-ene-1-carboxamide
SMILESNCC(F)(F)CNC(=O)C1CC=CCC1
InChIInChI=1S/C10H16F2N2O/c11-10(12,6-13)7-14-9(15)8-4-2-1-3-5-8/h1-2,8H,3-7,13H2,(H,14,15)
InChIKeyAHWHJWOJELNYGC-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.05
Rot. Bonds4

About N-(3-amino-2,2-difluoropropyl)cyclohex-3-ene-1-carboxamide

N-(3-amino-2,2-difluoropropyl)cyclohex-3-ene-1-carboxamide (PubChem CID 114383463) has the molecular formula C10H16F2N2O and a molecular weight of 218.25 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)cyclohex-3-ene-1-carboxamide
PubChem CID114383463
Molecular FormulaC10H16F2N2O
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC NameN-(3-amino-2,2-difluoropropyl)cyclohex-3-ene-1-carboxamide
SMILESNCC(F)(F)CNC(=O)C1CC=CCC1
InChIInChI=1S/C10H16F2N2O/c11-10(12,6-13)7-14-9(15)8-4-2-1-3-5-8/h1-2,8H,3-7,13H2,(H,14,15)
InChIKeyAHWHJWOJELNYGC-UHFFFAOYSA-N
XLogP1.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)cyclohex-3-ene-1-carboxamide (CID 114383463) is N-(3-amino-2,2-difluoropropyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)cyclohex-3-ene-1-carboxamide is NCC(F)(F)CNC(=O)C1CC=CCC1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is AHWHJWOJELNYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O/c11-10(12,6-13)7-14-9(15)8-4-2-1-3-5-8/h1-2,8H,3-7,13H2,(H,14,15).
What are the key properties of N-(3-amino-2,2-difluoropropyl)cyclohex-3-ene-1-carboxamide?
N-(3-amino-2,2-difluoropropyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 218.25 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 114383463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).