2-cyclopropyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

C8H15F3N2 — CID 61150900

IUPAC2-cyclopropyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCC(N)(CNCC(F)(F)F)C1CC1
InChIInChI=1S/C8H15F3N2/c1-7(12,6-2-3-6)4-13-5-8(9,10)11/h6,13H,2-5,12H2,1H3
InChIKeyQXIOBBGRGSJMLG-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.27
Rot. Bonds4

About 2-cyclopropyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

2-cyclopropyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (PubChem CID 61150900) has the molecular formula C8H15F3N2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 2-cyclopropyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-cyclopropyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
PubChem CID61150900
Molecular FormulaC8H15F3N2
Molecular Weight196.22 g/mol
Exact Mass196.12
IUPAC Name2-cyclopropyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCC(N)(CNCC(F)(F)F)C1CC1
InChIInChI=1S/C8H15F3N2/c1-7(12,6-2-3-6)4-13-5-8(9,10)11/h6,13H,2-5,12H2,1H3
InChIKeyQXIOBBGRGSJMLG-UHFFFAOYSA-N
XLogP1.27
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-N-(2,2-difluoroethyl)-4-methylpentane-1,2-diamine
CID 177282026
2-Cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
CID 43514086
2-cyclopropyl-1-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 60893113
2-Cyclopropyl-2-(2,2,2-trifluoroethylamino)propanenitrile
CID 60999125
4-methyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 61150222
2-methyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 61151162
2-cyclopropyl-1-N-ethyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 61606670
1-N-cyclopropyl-4-methyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 61606675
2-cyclopropyl-1-N-propyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 61606821
1-N,2-dicyclopropyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 61606951
2-cyclopropyl-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 61607105
N'-cyclopropyl-N-(4-methylpentyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62554497

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The IUPAC name of 2-cyclopropyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (CID 61150900) is 2-cyclopropyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.
What is the SMILES notation for 2-cyclopropyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The canonical SMILES for 2-cyclopropyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is CC(N)(CNCC(F)(F)F)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The InChIKey is QXIOBBGRGSJMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2/c1-7(12,6-2-3-6)4-13-5-8(9,10)11/h6,13H,2-5,12H2,1H3.
What are the key properties of 2-cyclopropyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
2-cyclopropyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine has a molecular weight of 196.22 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is sourced from PubChem (CID 61150900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).