(1R,2S)-1,2-bis(3,4-difluorophenyl)ethane-1,2-diamine

C14H12F4N2 — CID 124654147

IUPAC(1R,2S)-1,2-bis(3,4-difluorophenyl)ethane-1,2-diamine
SMILESN[C@H](c1ccc(F)c(F)c1)[C@@H](N)c1ccc(F)c(F)c1
InChIInChI=1S/C14H12F4N2/c15-9-3-1-7(5-11(9)17)13(19)14(20)8-2-4-10(16)12(18)6-8/h1-6,13-14H,19-20H2/t13-,14+
InChIKeyJAHUVZNVYIGQKH-OKILXGFUSA-N
MW284.26 g/mol
LogP2.94
Rot. Bonds3

About (1R,2S)-1,2-bis(3,4-difluorophenyl)ethane-1,2-diamine

(1R,2S)-1,2-bis(3,4-difluorophenyl)ethane-1,2-diamine (PubChem CID 124654147) has the molecular formula C14H12F4N2 and a molecular weight of 284.26 g/mol. Its IUPAC name is (1R,2S)-1,2-bis(3,4-difluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1R,2S)-1,2-bis(3,4-difluorophenyl)ethane-1,2-diamine
PubChem CID124654147
Molecular FormulaC14H12F4N2
Molecular Weight284.26 g/mol
Exact Mass284.09
IUPAC Name(1R,2S)-1,2-bis(3,4-difluorophenyl)ethane-1,2-diamine
SMILESN[C@H](c1ccc(F)c(F)c1)[C@@H](N)c1ccc(F)c(F)c1
InChIInChI=1S/C14H12F4N2/c15-9-3-1-7(5-11(9)17)13(19)14(20)8-2-4-10(16)12(18)6-8/h1-6,13-14H,19-20H2/t13-,14+
InChIKeyJAHUVZNVYIGQKH-OKILXGFUSA-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

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Related Compounds

(1R,2S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol
CID 55272052
(1S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol
CID 131002091
(1R,2R)-1-amino-1-(3,4-difluorophenyl)propan-2-ol;hydrochloride
CID 69010360
azane;1,2-difluoro-4-(1,2,2-trifluoroethyl)benzene
CID 175581175
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2-amino-2-(3,4-difluorophenyl)ethanol
CID 22048878
methyl (2R,3S)-3-amino-3-(3,4-difluorophenyl)-2-hydroxypropanoate
CID 57167178
1-(3,4-difluorophenyl)-2-ethoxy-3-methylbutan-1-amine
CID 116720952
2-amino-1-(3,4-difluorophenyl)-2-phenylethanol
CID 62718129
(1R)-1-(3,4-difluorophenyl)prop-2-en-1-amine;hydrochloride
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(4-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
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CID 171229652

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1,2-bis(3,4-difluorophenyl)ethane-1,2-diamine?
The IUPAC name of (1R,2S)-1,2-bis(3,4-difluorophenyl)ethane-1,2-diamine (CID 124654147) is (1R,2S)-1,2-bis(3,4-difluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for (1R,2S)-1,2-bis(3,4-difluorophenyl)ethane-1,2-diamine?
The canonical SMILES for (1R,2S)-1,2-bis(3,4-difluorophenyl)ethane-1,2-diamine is N[C@H](c1ccc(F)c(F)c1)[C@@H](N)c1ccc(F)c(F)c1.
What is the InChIKey of (1R,2S)-1,2-bis(3,4-difluorophenyl)ethane-1,2-diamine?
The InChIKey is JAHUVZNVYIGQKH-OKILXGFUSA-N. The full InChI is InChI=1S/C14H12F4N2/c15-9-3-1-7(5-11(9)17)13(19)14(20)8-2-4-10(16)12(18)6-8/h1-6,13-14H,19-20H2/t13-,14+.
What are the key properties of (1R,2S)-1,2-bis(3,4-difluorophenyl)ethane-1,2-diamine?
(1R,2S)-1,2-bis(3,4-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,2S)-1,2-bis(3,4-difluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 124654147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).