(1R)-1-(4-chloro-2-fluorophenyl)ethane-1,2-diamine;hydrochloride

C8H11Cl2FN2 — CID 171222464

IUPAC(1R)-1-(4-chloro-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
SMILESCl.NC[C@H](N)c1ccc(Cl)cc1F
InChIInChI=1S/C8H10ClFN2.ClH/c9-5-1-2-6(7(10)3-5)8(12)4-11;/h1-3,8H,4,11-12H2;1H/t8-;/m0./s1
InChIKeyBVHPVXKGOSNHOW-QRPNPIFTSA-N
MW225.09 g/mol
LogP1.86
Rot. Bonds2

About (1R)-1-(4-chloro-2-fluorophenyl)ethane-1,2-diamine;hydrochloride

(1R)-1-(4-chloro-2-fluorophenyl)ethane-1,2-diamine;hydrochloride (PubChem CID 171222464) has the molecular formula C8H11Cl2FN2 and a molecular weight of 225.09 g/mol. Its IUPAC name is (1R)-1-(4-chloro-2-fluorophenyl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(4-chloro-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
PubChem CID171222464
Molecular FormulaC8H11Cl2FN2
Molecular Weight225.09 g/mol
Exact Mass224.03
IUPAC Name(1R)-1-(4-chloro-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
SMILESCl.NC[C@H](N)c1ccc(Cl)cc1F
InChIInChI=1S/C8H10ClFN2.ClH/c9-5-1-2-6(7(10)3-5)8(12)4-11;/h1-3,8H,4,11-12H2;1H/t8-;/m0./s1
InChIKeyBVHPVXKGOSNHOW-QRPNPIFTSA-N
XLogP1.86
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.09
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-chloro-2-fluorophenyl)pentane-1,5-diamine
CID 171222468
(1R)-1-(4-chloro-2-fluorophenyl)propan-1-amine
CID 58878078
(1R)-1-(4-chloro-2-fluorophenyl)but-3-en-1-amine;hydrochloride
CID 171202914
2-(4-chloro-2-fluorophenyl)-2-fluoroethanamine
CID 112562799
1-(2-amino-4-chlorophenyl)ethane-1,2-diamine
CID 55270734
(1S)-1-(4-amino-2-fluorophenyl)ethane-1,2-diamine
CID 55275012
(1R)-1-(4-chloro-2-fluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 103694258
5-chloro-2-(1,2-diaminoethyl)phenol
CID 55273354
(1R)-1-(2-fluoro-4-iodophenyl)ethane-1,2-diamine
CID 130737703
(3S)-3-amino-3-(4-chloro-2-fluorophenyl)propanamide
CID 104980078
ethyl (3R)-3-amino-3-(4-chloro-2-fluorophenyl)propanoate;hydrochloride
CID 171202939
(1S)-1-(2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 66516599

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chloro-2-fluorophenyl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of (1R)-1-(4-chloro-2-fluorophenyl)ethane-1,2-diamine;hydrochloride (CID 171222464) is (1R)-1-(4-chloro-2-fluorophenyl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-(4-chloro-2-fluorophenyl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for (1R)-1-(4-chloro-2-fluorophenyl)ethane-1,2-diamine;hydrochloride is Cl.NC[C@H](N)c1ccc(Cl)cc1F.
What is the InChIKey of (1R)-1-(4-chloro-2-fluorophenyl)ethane-1,2-diamine;hydrochloride?
The InChIKey is BVHPVXKGOSNHOW-QRPNPIFTSA-N. The full InChI is InChI=1S/C8H10ClFN2.ClH/c9-5-1-2-6(7(10)3-5)8(12)4-11;/h1-3,8H,4,11-12H2;1H/t8-;/m0./s1.
What are the key properties of (1R)-1-(4-chloro-2-fluorophenyl)ethane-1,2-diamine;hydrochloride?
(1R)-1-(4-chloro-2-fluorophenyl)ethane-1,2-diamine;hydrochloride has a molecular weight of 225.09 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chloro-2-fluorophenyl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 171222464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).