N'-cyclopropyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine

C10H19F3N2O — CID 61491376

IUPACN'-cyclopropyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
SMILESNCCN(CCCOCC(F)(F)F)C1CC1
InChIInChI=1S/C10H19F3N2O/c11-10(12,13)8-16-7-1-5-15(6-4-14)9-2-3-9/h9H,1-8,14H2
InChIKeyFJTNDOCJTFGJJO-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.38
Rot. Bonds8

About N'-cyclopropyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine

N'-cyclopropyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine (PubChem CID 61491376) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is N'-cyclopropyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
PubChem CID61491376
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC NameN'-cyclopropyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
SMILESNCCN(CCCOCC(F)(F)F)C1CC1
InChIInChI=1S/C10H19F3N2O/c11-10(12,13)8-16-7-1-5-15(6-4-14)9-2-3-9/h9H,1-8,14H2
InChIKeyFJTNDOCJTFGJJO-UHFFFAOYSA-N
XLogP1.38
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-cycloheptyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine
CID 61491075
N'-butyl-N'-cyclopropylethane-1,2-diamine
CID 61349574
N'-cyclobutyl-N'-[2-(3-methoxypropoxy)ethyl]ethane-1,2-diamine
CID 103184116
2-(2,2,2-trifluoroethoxy)ethanamine
CID 2060297
1,3-bis(2,2,2-trifluoroethoxy)propane
CID 57255720
N'-cyclopropyl-N'-nonylethane-1,2-diamine
CID 61349746
N'-cyclopropyl-N'-(4-methylpentyl)ethane-1,2-diamine
CID 83157183
N-(3-pentoxypropyl)-N-propylcyclopropanamine
CID 156795180
N'-cyclopropyl-N'-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine
CID 106450873
N'-cyclopentyl-N'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 104561146
2-N,2-dimethyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]butane-1,2-diamine
CID 62010380
N'-ethyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
CID 61492236

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine (CID 61491376) is N'-cyclopropyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine is NCCN(CCCOCC(F)(F)F)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
The InChIKey is FJTNDOCJTFGJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c11-10(12,13)8-16-7-1-5-15(6-4-14)9-2-3-9/h9H,1-8,14H2.
What are the key properties of N'-cyclopropyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
N'-cyclopropyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine has a molecular weight of 240.27 g/mol, XLogP of 1.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine is sourced from PubChem (CID 61491376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).