(1R,2R)-1,2-bis(3,5-difluorophenyl)ethane-1,2-diamine

C14H12F4N2 — CID 58298555

IUPAC(1R,2R)-1,2-bis(3,5-difluorophenyl)ethane-1,2-diamine
SMILESN[C@H](c1cc(F)cc(F)c1)[C@H](N)c1cc(F)cc(F)c1
InChIInChI=1S/C14H12F4N2/c15-9-1-7(2-10(16)5-9)13(19)14(20)8-3-11(17)6-12(18)4-8/h1-6,13-14H,19-20H2/t13-,14-/m1/s1
InChIKeyDDYGRRLGIOWXDE-ZIAGYGMSSA-N
MW284.26 g/mol
LogP2.94
Rot. Bonds3

About (1R,2R)-1,2-bis(3,5-difluorophenyl)ethane-1,2-diamine

(1R,2R)-1,2-bis(3,5-difluorophenyl)ethane-1,2-diamine (PubChem CID 58298555) has the molecular formula C14H12F4N2 and a molecular weight of 284.26 g/mol. Its IUPAC name is (1R,2R)-1,2-bis(3,5-difluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1R,2R)-1,2-bis(3,5-difluorophenyl)ethane-1,2-diamine
PubChem CID58298555
Molecular FormulaC14H12F4N2
Molecular Weight284.26 g/mol
Exact Mass284.09
IUPAC Name(1R,2R)-1,2-bis(3,5-difluorophenyl)ethane-1,2-diamine
SMILESN[C@H](c1cc(F)cc(F)c1)[C@H](N)c1cc(F)cc(F)c1
InChIInChI=1S/C14H12F4N2/c15-9-1-7(2-10(16)5-9)13(19)14(20)8-3-11(17)6-12(18)4-8/h1-6,13-14H,19-20H2/t13-,14-/m1/s1
InChIKeyDDYGRRLGIOWXDE-ZIAGYGMSSA-N
XLogP2.94
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2R)-1,2-bis(3,5-difluorophenyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-1-(3,5-difluorophenyl)butan-2-ol
CID 130150345
(2S)-2-amino-2-(3,5-difluorophenyl)ethanol
CID 55278901
3-[(1R)-1-amino-2-methylpropyl]-5-fluorophenol
CID 55274065
cyclopropyl-(3,5-difluorophenyl)methanamine
CID 62789483
1-amino-1-(3,5-difluorophenyl)propan-2-one
CID 55271172
(3,5-difluorophenyl)methanediol
CID 142893041
(1R,2S)-1-amino-1-(3,5-difluorophenyl)-3-phenylpropan-2-ol
CID 171262338
(1R,2S)-1-amino-1-(3-bromo-5-fluorophenyl)propan-2-ol
CID 130982390
(1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol
CID 130683102
(1S,2R)-1-amino-1-(3-fluoro-5-iodophenyl)propan-2-ol
CID 131150416
(1R,2S)-1-amino-1-(3,5-difluorophenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171262339
1,2-bis(4-fluorophenyl)ethane-1,2-diamine;dihydrochloride
CID 53420253

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1,2-bis(3,5-difluorophenyl)ethane-1,2-diamine?
The IUPAC name of (1R,2R)-1,2-bis(3,5-difluorophenyl)ethane-1,2-diamine (CID 58298555) is (1R,2R)-1,2-bis(3,5-difluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for (1R,2R)-1,2-bis(3,5-difluorophenyl)ethane-1,2-diamine?
The canonical SMILES for (1R,2R)-1,2-bis(3,5-difluorophenyl)ethane-1,2-diamine is N[C@H](c1cc(F)cc(F)c1)[C@H](N)c1cc(F)cc(F)c1.
What is the InChIKey of (1R,2R)-1,2-bis(3,5-difluorophenyl)ethane-1,2-diamine?
The InChIKey is DDYGRRLGIOWXDE-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H12F4N2/c15-9-1-7(2-10(16)5-9)13(19)14(20)8-3-11(17)6-12(18)4-8/h1-6,13-14H,19-20H2/t13-,14-/m1/s1.
What are the key properties of (1R,2R)-1,2-bis(3,5-difluorophenyl)ethane-1,2-diamine?
(1R,2R)-1,2-bis(3,5-difluorophenyl)ethane-1,2-diamine has a molecular weight of 284.26 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1,2-bis(3,5-difluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 58298555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).