4,4,4-trifluoro-2-N,2-N-dimethylbut-1-ene-2,3-diamine

C6H11F3N2 — CID 123956568

IUPAC4,4,4-trifluoro-2-N,2-N-dimethylbut-1-ene-2,3-diamine
SMILESC=C(C(N)C(F)(F)F)N(C)C
InChIInChI=1S/C6H11F3N2/c1-4(11(2)3)5(10)6(7,8)9/h5H,1,10H2,2-3H3
InChIKeyHXPGDJJWJQZEPZ-UHFFFAOYSA-N
MW168.16 g/mol
LogP0.95
Rot. Bonds2

About 4,4,4-trifluoro-2-N,2-N-dimethylbut-1-ene-2,3-diamine

4,4,4-trifluoro-2-N,2-N-dimethylbut-1-ene-2,3-diamine (PubChem CID 123956568) has the molecular formula C6H11F3N2 and a molecular weight of 168.16 g/mol. Its IUPAC name is 4,4,4-trifluoro-2-N,2-N-dimethylbut-1-ene-2,3-diamine.

Molecular Properties

Compound Name4,4,4-trifluoro-2-N,2-N-dimethylbut-1-ene-2,3-diamine
PubChem CID123956568
Molecular FormulaC6H11F3N2
Molecular Weight168.16 g/mol
Exact Mass168.09
IUPAC Name4,4,4-trifluoro-2-N,2-N-dimethylbut-1-ene-2,3-diamine
SMILESC=C(C(N)C(F)(F)F)N(C)C
InChIInChI=1S/C6H11F3N2/c1-4(11(2)3)5(10)6(7,8)9/h5H,1,10H2,2-3H3
InChIKeyHXPGDJJWJQZEPZ-UHFFFAOYSA-N
XLogP0.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-methyl-2-N-(2,2,2-trifluoroethyl)but-1-ene-2,3-diamine
CID 130290951
(3R)-2-N-methyl-2-N-(2,2,2-trifluoroethyl)but-1-ene-2,3-diamine
CID 130290995
(3R)-2-N-(2,2-difluoroethyl)but-1-ene-2,3-diamine
CID 130291029
2-N-(2,2-difluoroethyl)but-1-ene-2,3-diamine
CID 130291030
2-N-(2,2,2-trifluoroethyl)pent-1-ene-2,3-diamine
CID 130291047
(3R)-2-N-(2,2,2-trifluoroethyl)pent-1-ene-2,3-diamine
CID 130291194
(3R)-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)but-1-ene-2,3-diamine
CID 130291195
3-(3,3-Difluoropyrrolidin-1-yl)but-3-en-2-amine
CID 156826826
2-N,2-N-dimethylbut-1-ene-2,3-diamine
CID 123414251

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-2-N,2-N-dimethylbut-1-ene-2,3-diamine?
The IUPAC name of 4,4,4-trifluoro-2-N,2-N-dimethylbut-1-ene-2,3-diamine (CID 123956568) is 4,4,4-trifluoro-2-N,2-N-dimethylbut-1-ene-2,3-diamine.
What is the SMILES notation for 4,4,4-trifluoro-2-N,2-N-dimethylbut-1-ene-2,3-diamine?
The canonical SMILES for 4,4,4-trifluoro-2-N,2-N-dimethylbut-1-ene-2,3-diamine is C=C(C(N)C(F)(F)F)N(C)C.
What is the InChIKey of 4,4,4-trifluoro-2-N,2-N-dimethylbut-1-ene-2,3-diamine?
The InChIKey is HXPGDJJWJQZEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2/c1-4(11(2)3)5(10)6(7,8)9/h5H,1,10H2,2-3H3.
What are the key properties of 4,4,4-trifluoro-2-N,2-N-dimethylbut-1-ene-2,3-diamine?
4,4,4-trifluoro-2-N,2-N-dimethylbut-1-ene-2,3-diamine has a molecular weight of 168.16 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-2-N,2-N-dimethylbut-1-ene-2,3-diamine is sourced from PubChem (CID 123956568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).