(1S)-1-(2-fluorophenyl)ethane-1,2-diamine;hydrochloride

C8H12ClFN2 — CID 66516599

IUPAC(1S)-1-(2-fluorophenyl)ethane-1,2-diamine;hydrochloride
SMILESCl.NC[C@@H](N)c1ccccc1F
InChIInChI=1S/C8H11FN2.ClH/c9-7-4-2-1-3-6(7)8(11)5-10;/h1-4,8H,5,10-11H2;1H/t8-;/m1./s1
InChIKeyLWFTZANEBRMSEL-DDWIOCJRSA-N
MW190.65 g/mol
LogP1.21
Rot. Bonds2

About (1S)-1-(2-fluorophenyl)ethane-1,2-diamine;hydrochloride

(1S)-1-(2-fluorophenyl)ethane-1,2-diamine;hydrochloride (PubChem CID 66516599) has the molecular formula C8H12ClFN2 and a molecular weight of 190.65 g/mol. Its IUPAC name is (1S)-1-(2-fluorophenyl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(2-fluorophenyl)ethane-1,2-diamine;hydrochloride
PubChem CID66516599
Molecular FormulaC8H12ClFN2
Molecular Weight190.65 g/mol
Exact Mass190.07
IUPAC Name(1S)-1-(2-fluorophenyl)ethane-1,2-diamine;hydrochloride
SMILESCl.NC[C@@H](N)c1ccccc1F
InChIInChI=1S/C8H11FN2.ClH/c9-7-4-2-1-3-6(7)8(11)5-10;/h1-4,8H,5,10-11H2;1H/t8-;/m1./s1
InChIKeyLWFTZANEBRMSEL-DDWIOCJRSA-N
XLogP1.21
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.65
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-3,3-difluoro-1-(2-fluorophenyl)propan-1-amine;hydrochloride
CID 171312830
1-(2-fluorophenyl)propan-1-amine
CID 18439474
(1S)-4,4,4-trifluoro-1-(2-fluorophenyl)butan-1-amine;hydrochloride
CID 171218619
(3R)-3-amino-3-(2-fluorophenyl)propanenitrile;hydrochloride
CID 171260293
(1R)-1-(2,6-difluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171223663
(1R)-3,3,3-trifluoro-1-(2-fluorophenyl)propan-1-amine
CID 103693865
(1R)-1-(4-chloro-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171222464
(1S)-1-(5-bromo-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171200599
(1R)-1-(2-fluorophenyl)-4-methylpentan-1-amine
CID 94457975
(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride
CID 45072320
(1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]ethane-1,2-diamine;hydrochloride
CID 171215065
(2R)-4-amino-4-(2-fluorophenyl)butane-1,2-diol
CID 144615590

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-fluorophenyl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of (1S)-1-(2-fluorophenyl)ethane-1,2-diamine;hydrochloride (CID 66516599) is (1S)-1-(2-fluorophenyl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for (1S)-1-(2-fluorophenyl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for (1S)-1-(2-fluorophenyl)ethane-1,2-diamine;hydrochloride is Cl.NC[C@@H](N)c1ccccc1F.
What is the InChIKey of (1S)-1-(2-fluorophenyl)ethane-1,2-diamine;hydrochloride?
The InChIKey is LWFTZANEBRMSEL-DDWIOCJRSA-N. The full InChI is InChI=1S/C8H11FN2.ClH/c9-7-4-2-1-3-6(7)8(11)5-10;/h1-4,8H,5,10-11H2;1H/t8-;/m1./s1.
What are the key properties of (1S)-1-(2-fluorophenyl)ethane-1,2-diamine;hydrochloride?
(1S)-1-(2-fluorophenyl)ethane-1,2-diamine;hydrochloride has a molecular weight of 190.65 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-fluorophenyl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 66516599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).