N-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]cyclopropanamine

C11H17F2N — CID 116662328

IUPACN-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]cyclopropanamine
SMILESFC(F)(CNC1CC1)C1=CCCCC1
InChIInChI=1S/C11H17F2N/c12-11(13,8-14-10-6-7-10)9-4-2-1-3-5-9/h4,10,14H,1-3,5-8H2
InChIKeyTZXOKQWYIVSLFS-UHFFFAOYSA-N
MW201.26 g/mol
LogP2.87
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]cyclopropanamine

N-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]cyclopropanamine (PubChem CID 116662328) has the molecular formula C11H17F2N and a molecular weight of 201.26 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]cyclopropanamine
PubChem CID116662328
Molecular FormulaC11H17F2N
Molecular Weight201.26 g/mol
Exact Mass201.13
IUPAC NameN-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]cyclopropanamine
SMILESFC(F)(CNC1CC1)C1=CCCCC1
InChIInChI=1S/C11H17F2N/c12-11(13,8-14-10-6-7-10)9-4-2-1-3-5-9/h4,10,14H,1-3,5-8H2
InChIKeyTZXOKQWYIVSLFS-UHFFFAOYSA-N
XLogP2.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.26
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]cyclopropanamine?
The IUPAC name of N-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]cyclopropanamine (CID 116662328) is N-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]cyclopropanamine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]cyclopropanamine is FC(F)(CNC1CC1)C1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]cyclopropanamine?
The InChIKey is TZXOKQWYIVSLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N/c12-11(13,8-14-10-6-7-10)9-4-2-1-3-5-9/h4,10,14H,1-3,5-8H2.
What are the key properties of N-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]cyclopropanamine?
N-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]cyclopropanamine has a molecular weight of 201.26 g/mol, XLogP of 2.87, 4 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)-2,2-difluoroethyl]cyclopropanamine is sourced from PubChem (CID 116662328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).