N'-(2,2-difluoroethyl)-N'-(3-methoxycyclohexyl)ethane-1,2-diamine

C11H22F2N2O — CID 107494469

IUPACN'-(2,2-difluoroethyl)-N'-(3-methoxycyclohexyl)ethane-1,2-diamine
SMILESCOC1CCCC(N(CCN)CC(F)F)C1
InChIInChI=1S/C11H22F2N2O/c1-16-10-4-2-3-9(7-10)15(6-5-14)8-11(12)13/h9-11H,2-8,14H2,1H3
InChIKeyTZMGGFCPAOQQSZ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.47
Rot. Bonds6

About N'-(2,2-difluoroethyl)-N'-(3-methoxycyclohexyl)ethane-1,2-diamine

N'-(2,2-difluoroethyl)-N'-(3-methoxycyclohexyl)ethane-1,2-diamine (PubChem CID 107494469) has the molecular formula C11H22F2N2O and a molecular weight of 236.31 g/mol. Its IUPAC name is N'-(2,2-difluoroethyl)-N'-(3-methoxycyclohexyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,2-difluoroethyl)-N'-(3-methoxycyclohexyl)ethane-1,2-diamine
PubChem CID107494469
Molecular FormulaC11H22F2N2O
Molecular Weight236.31 g/mol
Exact Mass236.17
IUPAC NameN'-(2,2-difluoroethyl)-N'-(3-methoxycyclohexyl)ethane-1,2-diamine
SMILESCOC1CCCC(N(CCN)CC(F)F)C1
InChIInChI=1S/C11H22F2N2O/c1-16-10-4-2-3-9(7-10)15(6-5-14)8-11(12)13/h9-11H,2-8,14H2,1H3
InChIKeyTZMGGFCPAOQQSZ-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(2,2-difluoroethyl)-N'-(3-methoxycyclohexyl)ethane-1,2-diamine?
The IUPAC name of N'-(2,2-difluoroethyl)-N'-(3-methoxycyclohexyl)ethane-1,2-diamine (CID 107494469) is N'-(2,2-difluoroethyl)-N'-(3-methoxycyclohexyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,2-difluoroethyl)-N'-(3-methoxycyclohexyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,2-difluoroethyl)-N'-(3-methoxycyclohexyl)ethane-1,2-diamine is COC1CCCC(N(CCN)CC(F)F)C1.
What is the InChIKey of N'-(2,2-difluoroethyl)-N'-(3-methoxycyclohexyl)ethane-1,2-diamine?
The InChIKey is TZMGGFCPAOQQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2O/c1-16-10-4-2-3-9(7-10)15(6-5-14)8-11(12)13/h9-11H,2-8,14H2,1H3.
What are the key properties of N'-(2,2-difluoroethyl)-N'-(3-methoxycyclohexyl)ethane-1,2-diamine?
N'-(2,2-difluoroethyl)-N'-(3-methoxycyclohexyl)ethane-1,2-diamine has a molecular weight of 236.31 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-difluoroethyl)-N'-(3-methoxycyclohexyl)ethane-1,2-diamine is sourced from PubChem (CID 107494469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).