N'-cyclopropyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C7H13F3N2 — CID 61349567

IUPACN'-cyclopropyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNCCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C7H13F3N2/c8-7(9,10)5-12(4-3-11)6-1-2-6/h6H,1-5,11H2
InChIKeyAXNWPWWQTPCEFK-UHFFFAOYSA-N
MW182.19 g/mol
LogP0.97
Rot. Bonds4

About N'-cyclopropyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-cyclopropyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 61349567) has the molecular formula C7H13F3N2 and a molecular weight of 182.19 g/mol. Its IUPAC name is N'-cyclopropyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID61349567
Molecular FormulaC7H13F3N2
Molecular Weight182.19 g/mol
Exact Mass182.10
IUPAC NameN'-cyclopropyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNCCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C7H13F3N2/c8-7(9,10)5-12(4-3-11)6-1-2-6/h6H,1-5,11H2
InChIKeyAXNWPWWQTPCEFK-UHFFFAOYSA-N
XLogP0.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 61349567) is N'-cyclopropyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is NCCN(CC(F)(F)F)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is AXNWPWWQTPCEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2/c8-7(9,10)5-12(4-3-11)6-1-2-6/h6H,1-5,11H2.
What are the key properties of N'-cyclopropyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-cyclopropyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 182.19 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 61349567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).