2-(4-ethoxycyclohexyl)-N,N-diethyl-2,2-difluoroethanamine

C14H27F2NO — CID 176558045

IUPAC2-(4-ethoxycyclohexyl)-N,N-diethyl-2,2-difluoroethanamine
SMILESCCOC1CCC(C(F)(F)CN(CC)CC)CC1
InChIInChI=1S/C14H27F2NO/c1-4-17(5-2)11-14(15,16)12-7-9-13(10-8-12)18-6-3/h12-13H,4-11H2,1-3H3
InChIKeyFBHGKNYQMYPKLT-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.56
Rot. Bonds7

About 2-(4-ethoxycyclohexyl)-N,N-diethyl-2,2-difluoroethanamine

2-(4-ethoxycyclohexyl)-N,N-diethyl-2,2-difluoroethanamine (PubChem CID 176558045) has the molecular formula C14H27F2NO and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-(4-ethoxycyclohexyl)-N,N-diethyl-2,2-difluoroethanamine.

Molecular Properties

Compound Name2-(4-ethoxycyclohexyl)-N,N-diethyl-2,2-difluoroethanamine
PubChem CID176558045
Molecular FormulaC14H27F2NO
Molecular Weight263.37 g/mol
Exact Mass263.21
IUPAC Name2-(4-ethoxycyclohexyl)-N,N-diethyl-2,2-difluoroethanamine
SMILESCCOC1CCC(C(F)(F)CN(CC)CC)CC1
InChIInChI=1S/C14H27F2NO/c1-4-17(5-2)11-14(15,16)12-7-9-13(10-8-12)18-6-3/h12-13H,4-11H2,1-3H3
InChIKeyFBHGKNYQMYPKLT-UHFFFAOYSA-N
XLogP3.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1,1-difluoroethoxy)-1-methylcyclohexyl]-N,N-dimethylmethanamine
CID 156187959
ethane;2-(4-ethoxycyclohexyl)-N,N-diethyl-2,2-difluoroethanamine
CID 176558044
2-[4-(difluoromethoxy)cyclohexyl]-N-methylethanamine
CID 84722409
3-Methyl-2-(1,1,1,9-tetrafluorononan-5-yl)-6-(trifluoromethyl)-1,3-oxazinane
CID 162565607
Carbanide;methyl-[2-(4-propoxycyclohexyl)ethyl]azanide;tungsten(2+)
CID 23395973
N-ethyl-N-methyl-3-(4-propan-2-yloxycyclohexyl)propan-1-amine
CID 145816095
N-ethyl-N-methyl-3-[4-(2-methylpropoxy)cyclohexyl]propan-1-amine
CID 145816098
N-methyl-N-[(4-propan-2-yloxycyclohexyl)methyl]propan-1-amine
CID 163967088
1-[2-(4-Methoxycyclohexyl)ethyl]-3-methylpyrrolidine
CID 172563902
N-methyl-4-(4-methylcyclohexyl)oxy-N-propylbutan-1-amine
CID 174464248
N,N-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]ethanamine
CID 176728249
1-Ethyl-4-(4-ethylcyclohexyl)oxypiperidine
CID 176985843

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxycyclohexyl)-N,N-diethyl-2,2-difluoroethanamine?
The IUPAC name of 2-(4-ethoxycyclohexyl)-N,N-diethyl-2,2-difluoroethanamine (CID 176558045) is 2-(4-ethoxycyclohexyl)-N,N-diethyl-2,2-difluoroethanamine.
What is the SMILES notation for 2-(4-ethoxycyclohexyl)-N,N-diethyl-2,2-difluoroethanamine?
The canonical SMILES for 2-(4-ethoxycyclohexyl)-N,N-diethyl-2,2-difluoroethanamine is CCOC1CCC(C(F)(F)CN(CC)CC)CC1.
What is the InChIKey of 2-(4-ethoxycyclohexyl)-N,N-diethyl-2,2-difluoroethanamine?
The InChIKey is FBHGKNYQMYPKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F2NO/c1-4-17(5-2)11-14(15,16)12-7-9-13(10-8-12)18-6-3/h12-13H,4-11H2,1-3H3.
What are the key properties of 2-(4-ethoxycyclohexyl)-N,N-diethyl-2,2-difluoroethanamine?
2-(4-ethoxycyclohexyl)-N,N-diethyl-2,2-difluoroethanamine has a molecular weight of 263.37 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxycyclohexyl)-N,N-diethyl-2,2-difluoroethanamine is sourced from PubChem (CID 176558045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).