4,4-difluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclohexane-1-carboxamide

C14H22F2N2O — CID 107487199

IUPAC4,4-difluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclohexane-1-carboxamide
SMILESO=C(NCCC1=CCNCC1)C1CCC(F)(F)CC1
InChIInChI=1S/C14H22F2N2O/c15-14(16)6-1-12(2-7-14)13(19)18-10-5-11-3-8-17-9-4-11/h3,12,17H,1-2,4-10H2,(H,18,19)
InChIKeyNYFJGHVAALHVMO-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.24
Rot. Bonds4

About 4,4-difluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclohexane-1-carboxamide

4,4-difluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 107487199) has the molecular formula C14H22F2N2O and a molecular weight of 272.34 g/mol. Its IUPAC name is 4,4-difluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID107487199
Molecular FormulaC14H22F2N2O
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name4,4-difluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclohexane-1-carboxamide
SMILESO=C(NCCC1=CCNCC1)C1CCC(F)(F)CC1
InChIInChI=1S/C14H22F2N2O/c15-14(16)6-1-12(2-7-14)13(19)18-10-5-11-3-8-17-9-4-11/h3,12,17H,1-2,4-10H2,(H,18,19)
InChIKeyNYFJGHVAALHVMO-UHFFFAOYSA-N
XLogP2.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.24
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 4,4-difluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclohexane-1-carboxamide (CID 107487199) is 4,4-difluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclohexane-1-carboxamide is O=C(NCCC1=CCNCC1)C1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is NYFJGHVAALHVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O/c15-14(16)6-1-12(2-7-14)13(19)18-10-5-11-3-8-17-9-4-11/h3,12,17H,1-2,4-10H2,(H,18,19).
What are the key properties of 4,4-difluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclohexane-1-carboxamide?
4,4-difluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 272.34 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 107487199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).