N'-(2,2-difluoroethyl)-N'-(4-ethylcyclohexyl)ethane-1,2-diamine

C12H24F2N2 — CID 107494416

IUPACN'-(2,2-difluoroethyl)-N'-(4-ethylcyclohexyl)ethane-1,2-diamine
SMILESCCC1CCC(N(CCN)CC(F)F)CC1
InChIInChI=1S/C12H24F2N2/c1-2-10-3-5-11(6-4-10)16(8-7-15)9-12(13)14/h10-12H,2-9,15H2,1H3
InChIKeyCNQJRDPSAZLBID-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.48
Rot. Bonds6

About N'-(2,2-difluoroethyl)-N'-(4-ethylcyclohexyl)ethane-1,2-diamine

N'-(2,2-difluoroethyl)-N'-(4-ethylcyclohexyl)ethane-1,2-diamine (PubChem CID 107494416) has the molecular formula C12H24F2N2 and a molecular weight of 234.33 g/mol. Its IUPAC name is N'-(2,2-difluoroethyl)-N'-(4-ethylcyclohexyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,2-difluoroethyl)-N'-(4-ethylcyclohexyl)ethane-1,2-diamine
PubChem CID107494416
Molecular FormulaC12H24F2N2
Molecular Weight234.33 g/mol
Exact Mass234.19
IUPAC NameN'-(2,2-difluoroethyl)-N'-(4-ethylcyclohexyl)ethane-1,2-diamine
SMILESCCC1CCC(N(CCN)CC(F)F)CC1
InChIInChI=1S/C12H24F2N2/c1-2-10-3-5-11(6-4-10)16(8-7-15)9-12(13)14/h10-12H,2-9,15H2,1H3
InChIKeyCNQJRDPSAZLBID-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(4-ethylcyclohexyl)-N'-propylethane-1,2-diamine
CID 64747486
2-[2,2-difluoroethyl-(3-ethylcyclohexyl)amino]ethanol
CID 107485364
N'-butyl-N'-cyclopropylethane-1,2-diamine
CID 61349574
N'-cyclopropyl-N'-(4-methylpentyl)ethane-1,2-diamine
CID 83157183
ethanamine;ethylcyclopropane
CID 70018487
4-ethyl-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 155402155
1-[2-aminoethyl(cyclohexyl)amino]propan-2-ol
CID 65279530
N'-cyclopropyl-N'-nonylethane-1,2-diamine
CID 61349746
2-[ethyl-(4-ethylcyclohexyl)amino]ethanol
CID 64774254
3-[2-aminoethyl(2,2-difluoroethyl)amino]-1-methylpyrrolidin-2-one
CID 107494415
N'-cyclopropyl-N'-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine
CID 106450873
2-[cyclohexyl(2,2-difluoroethyl)amino]ethanol
CID 62016408

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-difluoroethyl)-N'-(4-ethylcyclohexyl)ethane-1,2-diamine?
The IUPAC name of N'-(2,2-difluoroethyl)-N'-(4-ethylcyclohexyl)ethane-1,2-diamine (CID 107494416) is N'-(2,2-difluoroethyl)-N'-(4-ethylcyclohexyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,2-difluoroethyl)-N'-(4-ethylcyclohexyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,2-difluoroethyl)-N'-(4-ethylcyclohexyl)ethane-1,2-diamine is CCC1CCC(N(CCN)CC(F)F)CC1.
What is the InChIKey of N'-(2,2-difluoroethyl)-N'-(4-ethylcyclohexyl)ethane-1,2-diamine?
The InChIKey is CNQJRDPSAZLBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2N2/c1-2-10-3-5-11(6-4-10)16(8-7-15)9-12(13)14/h10-12H,2-9,15H2,1H3.
What are the key properties of N'-(2,2-difluoroethyl)-N'-(4-ethylcyclohexyl)ethane-1,2-diamine?
N'-(2,2-difluoroethyl)-N'-(4-ethylcyclohexyl)ethane-1,2-diamine has a molecular weight of 234.33 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-difluoroethyl)-N'-(4-ethylcyclohexyl)ethane-1,2-diamine is sourced from PubChem (CID 107494416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).