1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-morpholin-4-ylethane-1,2-diamine

C13H17F4N3O — CID 83011227

IUPAC1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-morpholin-4-ylethane-1,2-diamine
SMILESNCC(NN1CCOCC1)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C13H17F4N3O/c14-9-1-2-10(11(7-9)13(15,16)17)12(8-18)19-20-3-5-21-6-4-20/h1-2,7,12,19H,3-6,8,18H2
InChIKeyVHWUKUWNVOTOAW-UHFFFAOYSA-N
MW307.29 g/mol
LogP1.68
Rot. Bonds4

About 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-morpholin-4-ylethane-1,2-diamine

1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-morpholin-4-ylethane-1,2-diamine (PubChem CID 83011227) has the molecular formula C13H17F4N3O and a molecular weight of 307.29 g/mol. Its IUPAC name is 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-morpholin-4-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-morpholin-4-ylethane-1,2-diamine
PubChem CID83011227
Molecular FormulaC13H17F4N3O
Molecular Weight307.29 g/mol
Exact Mass307.13
IUPAC Name1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-morpholin-4-ylethane-1,2-diamine
SMILESNCC(NN1CCOCC1)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C13H17F4N3O/c14-9-1-2-10(11(7-9)13(15,16)17)12(8-18)19-20-3-5-21-6-4-20/h1-2,7,12,19H,3-6,8,18H2
InChIKeyVHWUKUWNVOTOAW-UHFFFAOYSA-N
XLogP1.68
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.29
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-morpholin-4-yl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 83011127
N-piperidin-1-yl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 83012265
1-[2-(difluoromethoxy)phenyl]-N-morpholin-4-ylethane-1,2-diamine
CID 83013582
(1R)-2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol
CID 129381916
3-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]propane-1,2-diol
CID 170828543
2-amino-1-(4-fluoro-2-morpholin-4-ylphenyl)ethanol
CID 117115347
1-(difluoromethyl)-4-fluoro-2-(trifluoromethyl)benzene
CID 46311777
(1S)-2-fluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 131361853
2-(2,4-difluorophenyl)-2-morpholin-4-ylethanamine;hydrochloride
CID 46736564
1-(1,3-benzodioxol-5-yl)-N-morpholin-4-ylethane-1,2-diamine
CID 83015045
3-amino-2-[4-fluoro-2-(trifluoromethyl)phenyl]propanoic acid
CID 117116266
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-morpholin-4-ylethane-1,2-diamine
CID 83017210

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-morpholin-4-ylethane-1,2-diamine?
The IUPAC name of 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-morpholin-4-ylethane-1,2-diamine (CID 83011227) is 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-morpholin-4-ylethane-1,2-diamine.
What is the SMILES notation for 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-morpholin-4-ylethane-1,2-diamine?
The canonical SMILES for 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-morpholin-4-ylethane-1,2-diamine is NCC(NN1CCOCC1)c1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-morpholin-4-ylethane-1,2-diamine?
The InChIKey is VHWUKUWNVOTOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F4N3O/c14-9-1-2-10(11(7-9)13(15,16)17)12(8-18)19-20-3-5-21-6-4-20/h1-2,7,12,19H,3-6,8,18H2.
What are the key properties of 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-morpholin-4-ylethane-1,2-diamine?
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-morpholin-4-ylethane-1,2-diamine has a molecular weight of 307.29 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-morpholin-4-ylethane-1,2-diamine is sourced from PubChem (CID 83011227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).