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

C14H11ClF4N2 — CID 107364470

IUPACN-(3-chloro-5-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1cc(F)cc(Cl)c1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H11ClF4N2/c15-8-3-9(16)5-10(4-8)21-13(6-20)7-1-11(17)14(19)12(18)2-7/h1-5,13,21H,6,20H2
InChIKeySOVZVUBECSMFBD-UHFFFAOYSA-N
MW318.70 g/mol
LogP4.01
Rot. Bonds4

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

N-(3-chloro-5-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethane-1,2-diamine (PubChem CID 107364470) has the molecular formula C14H11ClF4N2 and a molecular weight of 318.70 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethane-1,2-diamine
PubChem CID107364470
Molecular FormulaC14H11ClF4N2
Molecular Weight318.70 g/mol
Exact Mass318.05
IUPAC NameN-(3-chloro-5-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1cc(F)cc(Cl)c1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H11ClF4N2/c15-8-3-9(16)5-10(4-8)21-13(6-20)7-1-11(17)14(19)12(18)2-7/h1-5,13,21H,6,20H2
InChIKeySOVZVUBECSMFBD-UHFFFAOYSA-N
XLogP4.01
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.70
LogP ≤ 54.01
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-(4-chlorophenyl)-1-(3,4,5-trifluorophenyl)ethane-1,2-diamine
CID 65384888
N-(3-chloro-5-fluorophenyl)-1-(3-chlorophenyl)ethane-1,2-diamine
CID 107364593
N-(3-chloro-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine
CID 107364475
N-(3-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine
CID 107364606
N-(3-chloro-5-fluorophenyl)-1-(2,6-dimethylphenyl)ethane-1,2-diamine
CID 107364552
N-(3-chloro-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethane-1,2-diamine
CID 107364594
N-(3-chloro-5-fluorophenyl)-1-(2-ethylphenyl)ethane-1,2-diamine
CID 107364446
1-(3,5-dichlorophenyl)-N-phenylethane-1,2-diamine
CID 65380315
1-(3-chloro-4-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
CID 81145659
1-(4-bromo-3-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
CID 81436862
N-(3-chloro-4-fluorophenyl)-1-phenylethane-1,2-diamine
CID 82133663
1-(4-chloro-3-fluorophenyl)-N-phenylethane-1,2-diamine
CID 65380106

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethane-1,2-diamine?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethane-1,2-diamine (CID 107364470) is N-(3-chloro-5-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethane-1,2-diamine?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethane-1,2-diamine is NCC(Nc1cc(F)cc(Cl)c1)c1cc(F)c(F)c(F)c1.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethane-1,2-diamine?
The InChIKey is SOVZVUBECSMFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF4N2/c15-8-3-9(16)5-10(4-8)21-13(6-20)7-1-11(17)14(19)12(18)2-7/h1-5,13,21H,6,20H2.
What are the key properties of N-(3-chloro-5-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethane-1,2-diamine?
N-(3-chloro-5-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethane-1,2-diamine has a molecular weight of 318.70 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 107364470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).