(2S)-2-N-(2,2-difluoroethyl)-2-N-ethyl-1-N-prop-1-en-2-ylpropane-1,2-diamine

C10H20F2N2 — CID 142366002

IUPAC(2S)-2-N-(2,2-difluoroethyl)-2-N-ethyl-1-N-prop-1-en-2-ylpropane-1,2-diamine
SMILESC=C(C)NC[C@H](C)N(CC)CC(F)F
InChIInChI=1S/C10H20F2N2/c1-5-14(7-10(11)12)9(4)6-13-8(2)3/h9-10,13H,2,5-7H2,1,3-4H3/t9-/m0/s1
InChIKeyGHNLORKRXLEHQG-VIFPVBQESA-N
MW206.28 g/mol
LogP2.09
Rot. Bonds7

About (2S)-2-N-(2,2-difluoroethyl)-2-N-ethyl-1-N-prop-1-en-2-ylpropane-1,2-diamine

(2S)-2-N-(2,2-difluoroethyl)-2-N-ethyl-1-N-prop-1-en-2-ylpropane-1,2-diamine (PubChem CID 142366002) has the molecular formula C10H20F2N2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (2S)-2-N-(2,2-difluoroethyl)-2-N-ethyl-1-N-prop-1-en-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name(2S)-2-N-(2,2-difluoroethyl)-2-N-ethyl-1-N-prop-1-en-2-ylpropane-1,2-diamine
PubChem CID142366002
Molecular FormulaC10H20F2N2
Molecular Weight206.28 g/mol
Exact Mass206.16
IUPAC Name(2S)-2-N-(2,2-difluoroethyl)-2-N-ethyl-1-N-prop-1-en-2-ylpropane-1,2-diamine
SMILESC=C(C)NC[C@H](C)N(CC)CC(F)F
InChIInChI=1S/C10H20F2N2/c1-5-14(7-10(11)12)9(4)6-13-8(2)3/h9-10,13H,2,5-7H2,1,3-4H3/t9-/m0/s1
InChIKeyGHNLORKRXLEHQG-VIFPVBQESA-N
XLogP2.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-N-(2,2-difluoroethyl)-2-N-ethyl-1-N-prop-1-en-2-ylpropane-1,2-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-(2,2-difluoroethyl)-2-N-ethyl-1-N-prop-1-en-2-ylpropane-1,2-diamine?
The IUPAC name of (2S)-2-N-(2,2-difluoroethyl)-2-N-ethyl-1-N-prop-1-en-2-ylpropane-1,2-diamine (CID 142366002) is (2S)-2-N-(2,2-difluoroethyl)-2-N-ethyl-1-N-prop-1-en-2-ylpropane-1,2-diamine.
What is the SMILES notation for (2S)-2-N-(2,2-difluoroethyl)-2-N-ethyl-1-N-prop-1-en-2-ylpropane-1,2-diamine?
The canonical SMILES for (2S)-2-N-(2,2-difluoroethyl)-2-N-ethyl-1-N-prop-1-en-2-ylpropane-1,2-diamine is C=C(C)NC[C@H](C)N(CC)CC(F)F.
What is the InChIKey of (2S)-2-N-(2,2-difluoroethyl)-2-N-ethyl-1-N-prop-1-en-2-ylpropane-1,2-diamine?
The InChIKey is GHNLORKRXLEHQG-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20F2N2/c1-5-14(7-10(11)12)9(4)6-13-8(2)3/h9-10,13H,2,5-7H2,1,3-4H3/t9-/m0/s1.
What are the key properties of (2S)-2-N-(2,2-difluoroethyl)-2-N-ethyl-1-N-prop-1-en-2-ylpropane-1,2-diamine?
(2S)-2-N-(2,2-difluoroethyl)-2-N-ethyl-1-N-prop-1-en-2-ylpropane-1,2-diamine has a molecular weight of 206.28 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-(2,2-difluoroethyl)-2-N-ethyl-1-N-prop-1-en-2-ylpropane-1,2-diamine is sourced from PubChem (CID 142366002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).