2-N-(2,2,2-trifluoroethyl)pent-1-ene-2,3-diamine

C7H13F3N2 — CID 130291047

IUPAC2-N-(2,2,2-trifluoroethyl)pent-1-ene-2,3-diamine
SMILESC=C(NCC(F)(F)F)C(N)CC
InChIInChI=1S/C7H13F3N2/c1-3-6(11)5(2)12-4-7(8,9)10/h6,12H,2-4,11H2,1H3
InChIKeyDLCSBCWXVPPCSR-UHFFFAOYSA-N
MW182.19 g/mol
LogP1.39
Rot. Bonds4

About 2-N-(2,2,2-trifluoroethyl)pent-1-ene-2,3-diamine

2-N-(2,2,2-trifluoroethyl)pent-1-ene-2,3-diamine (PubChem CID 130291047) has the molecular formula C7H13F3N2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 2-N-(2,2,2-trifluoroethyl)pent-1-ene-2,3-diamine.

Molecular Properties

Compound Name2-N-(2,2,2-trifluoroethyl)pent-1-ene-2,3-diamine
PubChem CID130291047
Molecular FormulaC7H13F3N2
Molecular Weight182.19 g/mol
Exact Mass182.10
IUPAC Name2-N-(2,2,2-trifluoroethyl)pent-1-ene-2,3-diamine
SMILESC=C(NCC(F)(F)F)C(N)CC
InChIInChI=1S/C7H13F3N2/c1-3-6(11)5(2)12-4-7(8,9)10/h6,12H,2-4,11H2,1H3
InChIKeyDLCSBCWXVPPCSR-UHFFFAOYSA-N
XLogP1.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-N-(2,2,2-trifluoroethyl)pent-1-ene-2,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,2-difluoroethyl)pent-1-en-2-amine
CID 88914820
4,4,4-trifluoro-2-N,2-N-dimethylbut-1-ene-2,3-diamine
CID 123956568
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
(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
1-N-methyl-4-N-(2,2,2-trifluoroethyl)pent-4-ene-1,4-diamine
CID 134441892
4-N-(3,3,3-trifluoropropyl)pent-4-ene-1,4-diamine
CID 134441898
3,3-difluoro-N-pent-1-en-2-ylcyclobutan-1-amine
CID 156385668
3-(3,3-Difluoropyrrolidin-1-yl)but-3-en-2-amine
CID 156826826

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2,2-trifluoroethyl)pent-1-ene-2,3-diamine?
The IUPAC name of 2-N-(2,2,2-trifluoroethyl)pent-1-ene-2,3-diamine (CID 130291047) is 2-N-(2,2,2-trifluoroethyl)pent-1-ene-2,3-diamine.
What is the SMILES notation for 2-N-(2,2,2-trifluoroethyl)pent-1-ene-2,3-diamine?
The canonical SMILES for 2-N-(2,2,2-trifluoroethyl)pent-1-ene-2,3-diamine is C=C(NCC(F)(F)F)C(N)CC.
What is the InChIKey of 2-N-(2,2,2-trifluoroethyl)pent-1-ene-2,3-diamine?
The InChIKey is DLCSBCWXVPPCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2/c1-3-6(11)5(2)12-4-7(8,9)10/h6,12H,2-4,11H2,1H3.
What are the key properties of 2-N-(2,2,2-trifluoroethyl)pent-1-ene-2,3-diamine?
2-N-(2,2,2-trifluoroethyl)pent-1-ene-2,3-diamine has a molecular weight of 182.19 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2,2-trifluoroethyl)pent-1-ene-2,3-diamine is sourced from PubChem (CID 130291047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).