N'-propan-2-yl-N'-(4,4,4-trifluorobutyl)ethane-1,2-diamine

C9H19F3N2 — CID 115513345

IUPACN'-propan-2-yl-N'-(4,4,4-trifluorobutyl)ethane-1,2-diamine
SMILESCC(C)N(CCN)CCCC(F)(F)F
InChIInChI=1S/C9H19F3N2/c1-8(2)14(7-5-13)6-3-4-9(10,11)12/h8H,3-7,13H2,1-2H3
InChIKeyVHYUPQCBJDVPIH-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.00
Rot. Bonds6

About N'-propan-2-yl-N'-(4,4,4-trifluorobutyl)ethane-1,2-diamine

N'-propan-2-yl-N'-(4,4,4-trifluorobutyl)ethane-1,2-diamine (PubChem CID 115513345) has the molecular formula C9H19F3N2 and a molecular weight of 212.26 g/mol. Its IUPAC name is N'-propan-2-yl-N'-(4,4,4-trifluorobutyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-propan-2-yl-N'-(4,4,4-trifluorobutyl)ethane-1,2-diamine
PubChem CID115513345
Molecular FormulaC9H19F3N2
Molecular Weight212.26 g/mol
Exact Mass212.15
IUPAC NameN'-propan-2-yl-N'-(4,4,4-trifluorobutyl)ethane-1,2-diamine
SMILESCC(C)N(CCN)CCCC(F)(F)F
InChIInChI=1S/C9H19F3N2/c1-8(2)14(7-5-13)6-3-4-9(10,11)12/h8H,3-7,13H2,1-2H3
InChIKeyVHYUPQCBJDVPIH-UHFFFAOYSA-N
XLogP2.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromoethyl)-4,4,4-trifluoro-N-propan-2-ylbutan-1-amine
CID 115518451
3-[propan-2-yl(4,4,4-trifluorobutyl)amino]propanethioamide
CID 115513943
N'-(2-methoxyethyl)-3,3-dimethyl-N'-propan-2-ylhexane-1,6-diamine
CID 82951497
N-(2-bromoethyl)-3,3,3-trifluoro-N-propan-2-ylpropan-1-amine
CID 80667760
N'-butan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494664
N'-(2-methylpropyl)-N'-(3,3,3-trifluoropropyl)ethane-1,2-diamine
CID 64566711
N'-[2-(tert-butylamino)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 176602004
7,7,7-trifluoro-3-methylheptan-1-amine
CID 116536083
N'-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 43137377
ethane;4,4,4-trifluoro-N,N-dimethylbutan-1-amine
CID 166092761
2,2-dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 65258329
3-bromo-N-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine
CID 116618153

Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yl-N'-(4,4,4-trifluorobutyl)ethane-1,2-diamine?
The IUPAC name of N'-propan-2-yl-N'-(4,4,4-trifluorobutyl)ethane-1,2-diamine (CID 115513345) is N'-propan-2-yl-N'-(4,4,4-trifluorobutyl)ethane-1,2-diamine.
What is the SMILES notation for N'-propan-2-yl-N'-(4,4,4-trifluorobutyl)ethane-1,2-diamine?
The canonical SMILES for N'-propan-2-yl-N'-(4,4,4-trifluorobutyl)ethane-1,2-diamine is CC(C)N(CCN)CCCC(F)(F)F.
What is the InChIKey of N'-propan-2-yl-N'-(4,4,4-trifluorobutyl)ethane-1,2-diamine?
The InChIKey is VHYUPQCBJDVPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2/c1-8(2)14(7-5-13)6-3-4-9(10,11)12/h8H,3-7,13H2,1-2H3.
What are the key properties of N'-propan-2-yl-N'-(4,4,4-trifluorobutyl)ethane-1,2-diamine?
N'-propan-2-yl-N'-(4,4,4-trifluorobutyl)ethane-1,2-diamine has a molecular weight of 212.26 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-N'-(4,4,4-trifluorobutyl)ethane-1,2-diamine is sourced from PubChem (CID 115513345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).