N',N'-diethyl-N-(4,4,4-trifluorobutan-2-yl)ethane-1,2-diamine

C10H21F3N2 — CID 115705887

IUPACN',N'-diethyl-N-(4,4,4-trifluorobutan-2-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNC(C)CC(F)(F)F
InChIInChI=1S/C10H21F3N2/c1-4-15(5-2)7-6-14-9(3)8-10(11,12)13/h9,14H,4-8H2,1-3H3
InChIKeyMNGWAWYNANROJY-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.26
Rot. Bonds7

About N',N'-diethyl-N-(4,4,4-trifluorobutan-2-yl)ethane-1,2-diamine

N',N'-diethyl-N-(4,4,4-trifluorobutan-2-yl)ethane-1,2-diamine (PubChem CID 115705887) has the molecular formula C10H21F3N2 and a molecular weight of 226.29 g/mol. Its IUPAC name is N',N'-diethyl-N-(4,4,4-trifluorobutan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(4,4,4-trifluorobutan-2-yl)ethane-1,2-diamine
PubChem CID115705887
Molecular FormulaC10H21F3N2
Molecular Weight226.29 g/mol
Exact Mass226.17
IUPAC NameN',N'-diethyl-N-(4,4,4-trifluorobutan-2-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNC(C)CC(F)(F)F
InChIInChI=1S/C10H21F3N2/c1-4-15(5-2)7-6-14-9(3)8-10(11,12)13/h9,14H,4-8H2,1-3H3
InChIKeyMNGWAWYNANROJY-UHFFFAOYSA-N
XLogP2.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,4-N-bis[2-(diethylamino)ethyl]pentane-2,4-diamine
CID 5239027
4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 43199211
N',N'-diethyl-N-[(2R)-1-methoxypropan-2-yl]ethane-1,2-diamine
CID 28571173
2-N,2-N-dimethyl-1-N-(4,4,4-trifluorobutan-2-yl)propane-1,2-diamine
CID 115717067
N',N'-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]ethane-1,2-diamine
CID 62995128
N',N'-diethyl-N-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]ethane-1,2-diamine
CID 62554657
N,N-dimethyl-3-(4,4,4-trifluorobutan-2-ylamino)propanamide
CID 115715320
2,2-dimethyl-N-(4,4,4-trifluorobutan-2-yl)propan-1-amine
CID 103779068
N-(2-cyclobutylethyl)-4,4,4-trifluorobutan-2-amine
CID 115893436
N-(2-cyclohexylethyl)-4,4,4-trifluorobutan-2-amine
CID 115708422
2-N-[2-(diethylamino)ethyl]-3-methylbutane-1,2-diamine
CID 65385472
N,N,N'-triethyl-N'-[2-(3-methylbutan-2-ylamino)ethyl]propane-1,3-diamine
CID 102997904

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(4,4,4-trifluorobutan-2-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-(4,4,4-trifluorobutan-2-yl)ethane-1,2-diamine (CID 115705887) is N',N'-diethyl-N-(4,4,4-trifluorobutan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-(4,4,4-trifluorobutan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-(4,4,4-trifluorobutan-2-yl)ethane-1,2-diamine is CCN(CC)CCNC(C)CC(F)(F)F.
What is the InChIKey of N',N'-diethyl-N-(4,4,4-trifluorobutan-2-yl)ethane-1,2-diamine?
The InChIKey is MNGWAWYNANROJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2/c1-4-15(5-2)7-6-14-9(3)8-10(11,12)13/h9,14H,4-8H2,1-3H3.
What are the key properties of N',N'-diethyl-N-(4,4,4-trifluorobutan-2-yl)ethane-1,2-diamine?
N',N'-diethyl-N-(4,4,4-trifluorobutan-2-yl)ethane-1,2-diamine has a molecular weight of 226.29 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(4,4,4-trifluorobutan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 115705887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).