N'-(3,4,5-trifluorophenyl)ethane-1,2-diamine

C8H9F3N2 — CID 82504640

IUPACN'-(3,4,5-trifluorophenyl)ethane-1,2-diamine
SMILESNCCNc1cc(F)c(F)c(F)c1
InChIInChI=1S/C8H9F3N2/c9-6-3-5(13-2-1-12)4-7(10)8(6)11/h3-4,13H,1-2,12H2
InChIKeyDLHBKEIFMSKXFC-UHFFFAOYSA-N
MW190.17 g/mol
LogP1.47
Rot. Bonds3

About N'-(3,4,5-trifluorophenyl)ethane-1,2-diamine

N'-(3,4,5-trifluorophenyl)ethane-1,2-diamine (PubChem CID 82504640) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is N'-(3,4,5-trifluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3,4,5-trifluorophenyl)ethane-1,2-diamine
PubChem CID82504640
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC NameN'-(3,4,5-trifluorophenyl)ethane-1,2-diamine
SMILESNCCNc1cc(F)c(F)c(F)c1
InChIInChI=1S/C8H9F3N2/c9-6-3-5(13-2-1-12)4-7(10)8(6)11/h3-4,13H,1-2,12H2
InChIKeyDLHBKEIFMSKXFC-UHFFFAOYSA-N
XLogP1.47
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N'-(3,5-difluorophenyl)ethane-1,2-diamine
CID 11116511
3,4,5-trifluoro-N-(3,3,3-trifluoropropyl)aniline
CID 64555020
3-(3,4,5-trifluoroanilino)propanamide
CID 62810096
3,4,5-trifluoro-N-(2-methoxyethyl)aniline
CID 62811343
N'-(3-fluoro-5-methylphenyl)ethane-1,2-diamine
CID 79692011
N-(2-ethoxyethyl)-3,4,5-trifluoroaniline
CID 62810804
3,4,5-trifluoro-N-(2-methylpropyl)aniline
CID 62809579
3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)aniline
CID 62809594
(3,4,5-trifluorophenyl)methanamine;hydrochloride
CID 86064922
N-but-2-ynyl-3,4,5-trifluoroaniline
CID 62809759
4-(2-aminoethylamino)-2,6-dichlorophenol
CID 130589167
3,4,5-trifluoro-N-(pyrimidin-2-ylmethyl)aniline
CID 62810285

Frequently Asked Questions

What is the IUPAC name of N'-(3,4,5-trifluorophenyl)ethane-1,2-diamine?
The IUPAC name of N'-(3,4,5-trifluorophenyl)ethane-1,2-diamine (CID 82504640) is N'-(3,4,5-trifluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3,4,5-trifluorophenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3,4,5-trifluorophenyl)ethane-1,2-diamine is NCCNc1cc(F)c(F)c(F)c1.
What is the InChIKey of N'-(3,4,5-trifluorophenyl)ethane-1,2-diamine?
The InChIKey is DLHBKEIFMSKXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2/c9-6-3-5(13-2-1-12)4-7(10)8(6)11/h3-4,13H,1-2,12H2.
What are the key properties of N'-(3,4,5-trifluorophenyl)ethane-1,2-diamine?
N'-(3,4,5-trifluorophenyl)ethane-1,2-diamine has a molecular weight of 190.17 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4,5-trifluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 82504640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).