N-ethyl-1-(4-ethylcyclohexyl)-2,2-difluoroethanamine

C12H23F2N — CID 103759876

IUPACN-ethyl-1-(4-ethylcyclohexyl)-2,2-difluoroethanamine
SMILESCCNC(C(F)F)C1CCC(CC)CC1
InChIInChI=1S/C12H23F2N/c1-3-9-5-7-10(8-6-9)11(12(13)14)15-4-2/h9-12,15H,3-8H2,1-2H3
InChIKeyJZTNJZSBPITDBJ-UHFFFAOYSA-N
MW219.32 g/mol
LogP3.45
Rot. Bonds5

About N-ethyl-1-(4-ethylcyclohexyl)-2,2-difluoroethanamine

N-ethyl-1-(4-ethylcyclohexyl)-2,2-difluoroethanamine (PubChem CID 103759876) has the molecular formula C12H23F2N and a molecular weight of 219.32 g/mol. Its IUPAC name is N-ethyl-1-(4-ethylcyclohexyl)-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-ethylcyclohexyl)-2,2-difluoroethanamine
PubChem CID103759876
Molecular FormulaC12H23F2N
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC NameN-ethyl-1-(4-ethylcyclohexyl)-2,2-difluoroethanamine
SMILESCCNC(C(F)F)C1CCC(CC)CC1
InChIInChI=1S/C12H23F2N/c1-3-9-5-7-10(8-6-9)11(12(13)14)15-4-2/h9-12,15H,3-8H2,1-2H3
InChIKeyJZTNJZSBPITDBJ-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-ethylcyclohexyl)-2,2-difluoroethanamine?
The IUPAC name of N-ethyl-1-(4-ethylcyclohexyl)-2,2-difluoroethanamine (CID 103759876) is N-ethyl-1-(4-ethylcyclohexyl)-2,2-difluoroethanamine.
What is the SMILES notation for N-ethyl-1-(4-ethylcyclohexyl)-2,2-difluoroethanamine?
The canonical SMILES for N-ethyl-1-(4-ethylcyclohexyl)-2,2-difluoroethanamine is CCNC(C(F)F)C1CCC(CC)CC1.
What is the InChIKey of N-ethyl-1-(4-ethylcyclohexyl)-2,2-difluoroethanamine?
The InChIKey is JZTNJZSBPITDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2N/c1-3-9-5-7-10(8-6-9)11(12(13)14)15-4-2/h9-12,15H,3-8H2,1-2H3.
What are the key properties of N-ethyl-1-(4-ethylcyclohexyl)-2,2-difluoroethanamine?
N-ethyl-1-(4-ethylcyclohexyl)-2,2-difluoroethanamine has a molecular weight of 219.32 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-ethylcyclohexyl)-2,2-difluoroethanamine is sourced from PubChem (CID 103759876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).