4-[2-(4,5-difluorocyclohexen-1-yl)ethyl]cyclohexan-1-amine

C14H23F2N — CID 90382274

IUPAC4-[2-(4,5-difluorocyclohexen-1-yl)ethyl]cyclohexan-1-amine
SMILESNC1CCC(CCC2=CCC(F)C(F)C2)CC1
InChIInChI=1S/C14H23F2N/c15-13-8-5-11(9-14(13)16)2-1-10-3-6-12(17)7-4-10/h5,10,12-14H,1-4,6-9,17H2
InChIKeyPIRLRPITKJNPEA-UHFFFAOYSA-N
MW243.34 g/mol
LogP3.68
Rot. Bonds3

About 4-[2-(4,5-difluorocyclohexen-1-yl)ethyl]cyclohexan-1-amine

4-[2-(4,5-difluorocyclohexen-1-yl)ethyl]cyclohexan-1-amine (PubChem CID 90382274) has the molecular formula C14H23F2N and a molecular weight of 243.34 g/mol. Its IUPAC name is 4-[2-(4,5-difluorocyclohexen-1-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-(4,5-difluorocyclohexen-1-yl)ethyl]cyclohexan-1-amine
PubChem CID90382274
Molecular FormulaC14H23F2N
Molecular Weight243.34 g/mol
Exact Mass243.18
IUPAC Name4-[2-(4,5-difluorocyclohexen-1-yl)ethyl]cyclohexan-1-amine
SMILESNC1CCC(CCC2=CCC(F)C(F)C2)CC1
InChIInChI=1S/C14H23F2N/c15-13-8-5-11(9-14(13)16)2-1-10-3-6-12(17)7-4-10/h5,10,12-14H,1-4,6-9,17H2
InChIKeyPIRLRPITKJNPEA-UHFFFAOYSA-N
XLogP3.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 53.68
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 4-[2-(4,5-difluorocyclohexen-1-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-[2-(4,5-difluorocyclohexen-1-yl)ethyl]cyclohexan-1-amine (CID 90382274) is 4-[2-(4,5-difluorocyclohexen-1-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[2-(4,5-difluorocyclohexen-1-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-[2-(4,5-difluorocyclohexen-1-yl)ethyl]cyclohexan-1-amine is NC1CCC(CCC2=CCC(F)C(F)C2)CC1.
What is the InChIKey of 4-[2-(4,5-difluorocyclohexen-1-yl)ethyl]cyclohexan-1-amine?
The InChIKey is PIRLRPITKJNPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2N/c15-13-8-5-11(9-14(13)16)2-1-10-3-6-12(17)7-4-10/h5,10,12-14H,1-4,6-9,17H2.
What are the key properties of 4-[2-(4,5-difluorocyclohexen-1-yl)ethyl]cyclohexan-1-amine?
4-[2-(4,5-difluorocyclohexen-1-yl)ethyl]cyclohexan-1-amine has a molecular weight of 243.34 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4,5-difluorocyclohexen-1-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 90382274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).