N-[2-(cyclohexen-1-yl)ethyl]-2,2-difluoroethanamine

C10H17F2N — CID 62326172

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2,2-difluoroethanamine
SMILESFC(F)CNCCC1=CCCCC1
InChIInChI=1S/C10H17F2N/c11-10(12)8-13-7-6-9-4-2-1-3-5-9/h4,10,13H,1-3,5-8H2
InChIKeyQYRGAYPDEGIBRE-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.73
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-2,2-difluoroethanamine

N-[2-(cyclohexen-1-yl)ethyl]-2,2-difluoroethanamine (PubChem CID 62326172) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2,2-difluoroethanamine
PubChem CID62326172
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2,2-difluoroethanamine
SMILESFC(F)CNCCC1=CCCCC1
InChIInChI=1S/C10H17F2N/c11-10(12)8-13-7-6-9-4-2-1-3-5-9/h4,10,13H,1-3,5-8H2
InChIKeyQYRGAYPDEGIBRE-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2,2-difluoroethanamine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2,2-difluoroethanamine (CID 62326172) is N-[2-(cyclohexen-1-yl)ethyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2,2-difluoroethanamine is FC(F)CNCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2,2-difluoroethanamine?
The InChIKey is QYRGAYPDEGIBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c11-10(12)8-13-7-6-9-4-2-1-3-5-9/h4,10,13H,1-3,5-8H2.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2,2-difluoroethanamine?
N-[2-(cyclohexen-1-yl)ethyl]-2,2-difluoroethanamine has a molecular weight of 189.25 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2,2-difluoroethanamine is sourced from PubChem (CID 62326172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).