2-(3,3-difluorocyclohexyl)-5,5-difluoro-N-methylcyclohexan-1-amine;ethane

C15H27F4N — CID 178021231

IUPAC2-(3,3-difluorocyclohexyl)-5,5-difluoro-N-methylcyclohexan-1-amine;ethane
SMILESCC.CNC1CC(F)(F)CCC1C1CCCC(F)(F)C1
InChIInChI=1S/C13H21F4N.C2H6/c1-18-11-8-13(16,17)6-4-10(11)9-3-2-5-12(14,15)7-9;1-2/h9-11,18H,2-8H2,1H3;1-2H3
InChIKeyYIYGSHKUCVKSQE-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.86
Rot. Bonds2

About 2-(3,3-difluorocyclohexyl)-5,5-difluoro-N-methylcyclohexan-1-amine;ethane

2-(3,3-difluorocyclohexyl)-5,5-difluoro-N-methylcyclohexan-1-amine;ethane (PubChem CID 178021231) has the molecular formula C15H27F4N and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-(3,3-difluorocyclohexyl)-5,5-difluoro-N-methylcyclohexan-1-amine;ethane.

Molecular Properties

Compound Name2-(3,3-difluorocyclohexyl)-5,5-difluoro-N-methylcyclohexan-1-amine;ethane
PubChem CID178021231
Molecular FormulaC15H27F4N
Molecular Weight297.38 g/mol
Exact Mass297.21
IUPAC Name2-(3,3-difluorocyclohexyl)-5,5-difluoro-N-methylcyclohexan-1-amine;ethane
SMILESCC.CNC1CC(F)(F)CCC1C1CCCC(F)(F)C1
InChIInChI=1S/C13H21F4N.C2H6/c1-18-11-8-13(16,17)6-4-10(11)9-3-2-5-12(14,15)7-9;1-2/h9-11,18H,2-8H2,1H3;1-2H3
InChIKeyYIYGSHKUCVKSQE-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclohexyl)-5,5-difluoro-N-methylcyclohexan-1-amine;ethane?
The IUPAC name of 2-(3,3-difluorocyclohexyl)-5,5-difluoro-N-methylcyclohexan-1-amine;ethane (CID 178021231) is 2-(3,3-difluorocyclohexyl)-5,5-difluoro-N-methylcyclohexan-1-amine;ethane.
What is the SMILES notation for 2-(3,3-difluorocyclohexyl)-5,5-difluoro-N-methylcyclohexan-1-amine;ethane?
The canonical SMILES for 2-(3,3-difluorocyclohexyl)-5,5-difluoro-N-methylcyclohexan-1-amine;ethane is CC.CNC1CC(F)(F)CCC1C1CCCC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluorocyclohexyl)-5,5-difluoro-N-methylcyclohexan-1-amine;ethane?
The InChIKey is YIYGSHKUCVKSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F4N.C2H6/c1-18-11-8-13(16,17)6-4-10(11)9-3-2-5-12(14,15)7-9;1-2/h9-11,18H,2-8H2,1H3;1-2H3.
What are the key properties of 2-(3,3-difluorocyclohexyl)-5,5-difluoro-N-methylcyclohexan-1-amine;ethane?
2-(3,3-difluorocyclohexyl)-5,5-difluoro-N-methylcyclohexan-1-amine;ethane has a molecular weight of 297.38 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclohexyl)-5,5-difluoro-N-methylcyclohexan-1-amine;ethane is sourced from PubChem (CID 178021231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).