1,2-bis(4-fluorophenyl)ethane-1,2-diamine;dihydrochloride

C14H16Cl2F2N2 — CID 53420253

IUPAC1,2-bis(4-fluorophenyl)ethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.NC(c1ccc(F)cc1)C(N)c1ccc(F)cc1
InChIInChI=1S/C14H14F2N2.2ClH/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10;;/h1-8,13-14H,17-18H2;2*1H
InChIKeyILMQMKZMXREKBI-UHFFFAOYSA-N
MW321.20 g/mol
LogP3.51
Rot. Bonds3

About 1,2-bis(4-fluorophenyl)ethane-1,2-diamine;dihydrochloride

1,2-bis(4-fluorophenyl)ethane-1,2-diamine;dihydrochloride (PubChem CID 53420253) has the molecular formula C14H16Cl2F2N2 and a molecular weight of 321.20 g/mol. Its IUPAC name is 1,2-bis(4-fluorophenyl)ethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound Name1,2-bis(4-fluorophenyl)ethane-1,2-diamine;dihydrochloride
PubChem CID53420253
Molecular FormulaC14H16Cl2F2N2
Molecular Weight321.20 g/mol
Exact Mass320.07
IUPAC Name1,2-bis(4-fluorophenyl)ethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.NC(c1ccc(F)cc1)C(N)c1ccc(F)cc1
InChIInChI=1S/C14H14F2N2.2ClH/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10;;/h1-8,13-14H,17-18H2;2*1H
InChIKeyILMQMKZMXREKBI-UHFFFAOYSA-N
XLogP3.51
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-fluorophenyl)-2-methylpropan-1-amine;hydrochloride
CID 45072381
(1S)-1-(4-fluorophenyl)-2-methylpropan-1-amine
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(2S,3R)-2,3-diamino-3-(4-fluorophenyl)propanoic acid
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bis(4-fluorophenyl)methanamine
CID 10955039
(1R)-1-(4-fluorophenyl)-2-methylbutan-1-amine
CID 131025596
(2R,3R)-3-amino-3-(4-fluorophenyl)-2-hydroxypropanoic acid
CID 40787336
(1R)-1-(4-fluorophenyl)propane-1,3-diamine;hydrochloride
CID 171199114
2-amino-1-(4-fluorophenyl)propan-1-ol;hydrochloride
CID 86346411
O-[bis(4-fluorophenyl)methyl]hydroxylamine;hydrochloride
CID 22989786
(4-fluorophenyl)-phenylmethanamine
CID 11183272
2-amino-1-(3,4-difluorophenyl)-2-(4-fluorophenyl)ethanol
CID 142693429
bis(4-fluorophenyl)methylsilane
CID 71348038

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-fluorophenyl)ethane-1,2-diamine;dihydrochloride?
The IUPAC name of 1,2-bis(4-fluorophenyl)ethane-1,2-diamine;dihydrochloride (CID 53420253) is 1,2-bis(4-fluorophenyl)ethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for 1,2-bis(4-fluorophenyl)ethane-1,2-diamine;dihydrochloride?
The canonical SMILES for 1,2-bis(4-fluorophenyl)ethane-1,2-diamine;dihydrochloride is Cl.Cl.NC(c1ccc(F)cc1)C(N)c1ccc(F)cc1.
What is the InChIKey of 1,2-bis(4-fluorophenyl)ethane-1,2-diamine;dihydrochloride?
The InChIKey is ILMQMKZMXREKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2.2ClH/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10;;/h1-8,13-14H,17-18H2;2*1H.
What are the key properties of 1,2-bis(4-fluorophenyl)ethane-1,2-diamine;dihydrochloride?
1,2-bis(4-fluorophenyl)ethane-1,2-diamine;dihydrochloride has a molecular weight of 321.20 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-fluorophenyl)ethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 53420253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).