(1R)-1-(2,6-difluorophenyl)ethane-1,2-diamine;hydrochloride

C8H11ClF2N2 — CID 171223663

IUPAC(1R)-1-(2,6-difluorophenyl)ethane-1,2-diamine;hydrochloride
SMILESCl.NC[C@H](N)c1c(F)cccc1F
InChIInChI=1S/C8H10F2N2.ClH/c9-5-2-1-3-6(10)8(5)7(12)4-11;/h1-3,7H,4,11-12H2;1H/t7-;/m0./s1
InChIKeyFCFMXXFRUDNICM-FJXQXJEOSA-N
MW208.64 g/mol
LogP1.35
Rot. Bonds2

About (1R)-1-(2,6-difluorophenyl)ethane-1,2-diamine;hydrochloride

(1R)-1-(2,6-difluorophenyl)ethane-1,2-diamine;hydrochloride (PubChem CID 171223663) has the molecular formula C8H11ClF2N2 and a molecular weight of 208.64 g/mol. Its IUPAC name is (1R)-1-(2,6-difluorophenyl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2,6-difluorophenyl)ethane-1,2-diamine;hydrochloride
PubChem CID171223663
Molecular FormulaC8H11ClF2N2
Molecular Weight208.64 g/mol
Exact Mass208.06
IUPAC Name(1R)-1-(2,6-difluorophenyl)ethane-1,2-diamine;hydrochloride
SMILESCl.NC[C@H](N)c1c(F)cccc1F
InChIInChI=1S/C8H10F2N2.ClH/c9-5-2-1-3-6(10)8(5)7(12)4-11;/h1-3,7H,4,11-12H2;1H/t7-;/m0./s1
InChIKeyFCFMXXFRUDNICM-FJXQXJEOSA-N
XLogP1.35
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.64
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2-amino-6-fluorophenyl)ethane-1,2-diamine
CID 66516155
2-(1,2-diaminoethyl)-3-fluorobenzoic acid
CID 55273283
1-(2,6-difluorophenyl)butan-1-amine;hydrochloride
CID 86262880
1-(2-fluoro-6-phenoxyphenyl)ethane-1,2-diamine
CID 170894788
(1S)-1-(2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 66516599
(3S)-3-amino-3-(2,6-difluorophenyl)propanenitrile;hydrochloride
CID 171259948
1-(4-amino-2,6-difluorophenyl)ethane-1,2-diamine
CID 77130849
(1R)-1-(2,6-dichlorophenyl)ethane-1,2-diamine;hydrochloride
CID 171217423
1-(2,6-difluoro-3-methylphenyl)ethane-1,2-diamine
CID 55272041
(1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]propane-1,3-diamine;hydrochloride
CID 171227307
(1R)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine;hydrochloride
CID 171200162
(4S)-4-amino-4-(2,6-difluorophenyl)butan-1-ol
CID 102516083

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,6-difluorophenyl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of (1R)-1-(2,6-difluorophenyl)ethane-1,2-diamine;hydrochloride (CID 171223663) is (1R)-1-(2,6-difluorophenyl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-(2,6-difluorophenyl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for (1R)-1-(2,6-difluorophenyl)ethane-1,2-diamine;hydrochloride is Cl.NC[C@H](N)c1c(F)cccc1F.
What is the InChIKey of (1R)-1-(2,6-difluorophenyl)ethane-1,2-diamine;hydrochloride?
The InChIKey is FCFMXXFRUDNICM-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H10F2N2.ClH/c9-5-2-1-3-6(10)8(5)7(12)4-11;/h1-3,7H,4,11-12H2;1H/t7-;/m0./s1.
What are the key properties of (1R)-1-(2,6-difluorophenyl)ethane-1,2-diamine;hydrochloride?
(1R)-1-(2,6-difluorophenyl)ethane-1,2-diamine;hydrochloride has a molecular weight of 208.64 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,6-difluorophenyl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 171223663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).