1-(2,3-difluorophenyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C10H11F5N2 — CID 65379273

IUPAC1-(2,3-difluorophenyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNCC(NCC(F)(F)F)c1cccc(F)c1F
InChIInChI=1S/C10H11F5N2/c11-7-3-1-2-6(9(7)12)8(4-16)17-5-10(13,14)15/h1-3,8,17H,4-5,16H2
InChIKeyXQIKFOHCIUFYTL-UHFFFAOYSA-N
MW254.20 g/mol
LogP2.12
Rot. Bonds4

About 1-(2,3-difluorophenyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

1-(2,3-difluorophenyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 65379273) has the molecular formula C10H11F5N2 and a molecular weight of 254.20 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID65379273
Molecular FormulaC10H11F5N2
Molecular Weight254.20 g/mol
Exact Mass254.08
IUPAC Name1-(2,3-difluorophenyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNCC(NCC(F)(F)F)c1cccc(F)c1F
InChIInChI=1S/C10H11F5N2/c11-7-3-1-2-6(9(7)12)8(4-16)17-5-10(13,14)15/h1-3,8,17H,4-5,16H2
InChIKeyXQIKFOHCIUFYTL-UHFFFAOYSA-N
XLogP2.12
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 65377575
1-(2,3-difluorophenyl)-N-(2-methylphenyl)ethane-1,2-diamine
CID 65378631
(1R)-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171204140
1-(2,3-difluorophenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine
CID 83011438
1-(2,3-difluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 75480584
(1S)-1-(2,3-difluorophenyl)propane-1,3-diamine
CID 130986814
2-(2,3-difluorophenyl)butan-1-amine
CID 130760393
1-(2-fluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 65383918
2-(2,3-difluorophenyl)-N'-methylpropane-1,3-diamine
CID 20546582
1-(2,3-difluorophenyl)-N-ethylpent-3-yn-1-amine
CID 115819469
1-(2-fluoro-3-methylphenyl)-N-methylethane-1,2-diamine
CID 127004323
2-tert-butylsulfanyl-1-(2,3-difluorophenyl)-N-ethylethanamine
CID 65132740

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 65379273) is 1-(2,3-difluorophenyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is NCC(NCC(F)(F)F)c1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is XQIKFOHCIUFYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F5N2/c11-7-3-1-2-6(9(7)12)8(4-16)17-5-10(13,14)15/h1-3,8,17H,4-5,16H2.
What are the key properties of 1-(2,3-difluorophenyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
1-(2,3-difluorophenyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 254.20 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 65379273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).