(1R)-1-(2-chloro-5-fluorophenyl)propane-1,3-diamine

C9H12ClFN2 — CID 130854068

IUPAC(1R)-1-(2-chloro-5-fluorophenyl)propane-1,3-diamine
SMILESNCC[C@@H](N)c1cc(F)ccc1Cl
InChIInChI=1S/C9H12ClFN2/c10-8-2-1-6(11)5-7(8)9(13)3-4-12/h1-2,5,9H,3-4,12-13H2/t9-/m1/s1
InChIKeyZDXPJKUKSJBPIO-SECBINFHSA-N
MW202.66 g/mol
LogP1.83
Rot. Bonds3

About (1R)-1-(2-chloro-5-fluorophenyl)propane-1,3-diamine

(1R)-1-(2-chloro-5-fluorophenyl)propane-1,3-diamine (PubChem CID 130854068) has the molecular formula C9H12ClFN2 and a molecular weight of 202.66 g/mol. Its IUPAC name is (1R)-1-(2-chloro-5-fluorophenyl)propane-1,3-diamine.

Molecular Properties

Compound Name(1R)-1-(2-chloro-5-fluorophenyl)propane-1,3-diamine
PubChem CID130854068
Molecular FormulaC9H12ClFN2
Molecular Weight202.66 g/mol
Exact Mass202.07
IUPAC Name(1R)-1-(2-chloro-5-fluorophenyl)propane-1,3-diamine
SMILESNCC[C@@H](N)c1cc(F)ccc1Cl
InChIInChI=1S/C9H12ClFN2/c10-8-2-1-6(11)5-7(8)9(13)3-4-12/h1-2,5,9H,3-4,12-13H2/t9-/m1/s1
InChIKeyZDXPJKUKSJBPIO-SECBINFHSA-N
XLogP1.83
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-chloro-5-fluorophenyl)pentane-1,5-diamine
CID 171204613
(1S)-1-(2-chloro-5-fluorophenyl)pentane-1,5-diamine
CID 171224187
(1S)-1-(2-chloro-5-fluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171224188
(1R)-1-(2,5-dichlorophenyl)propane-1,3-diamine
CID 131122702
(3S)-3-amino-3-(2-chloro-5-fluorophenyl)propan-1-ol;hydrochloride
CID 171224218
(1R)-1-(2-chloro-5-fluorophenyl)-4-methylpentan-1-amine
CID 171204639
(1R)-1-(2,5-dichlorophenyl)-3-fluoropropan-1-amine
CID 131460461
(1R)-1-(2-chloro-4-fluorophenyl)pentane-1,5-diamine
CID 171204201
(1R)-1-(2,5-difluorophenyl)butane-1,4-diamine
CID 171204237
(1R)-1-(2-chloro-5-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171204622
1-(2-chloro-5-fluorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 105395209
(1R)-1-(2,5-difluorophenyl)pentane-1,5-diamine
CID 171204239

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chloro-5-fluorophenyl)propane-1,3-diamine?
The IUPAC name of (1R)-1-(2-chloro-5-fluorophenyl)propane-1,3-diamine (CID 130854068) is (1R)-1-(2-chloro-5-fluorophenyl)propane-1,3-diamine.
What is the SMILES notation for (1R)-1-(2-chloro-5-fluorophenyl)propane-1,3-diamine?
The canonical SMILES for (1R)-1-(2-chloro-5-fluorophenyl)propane-1,3-diamine is NCC[C@@H](N)c1cc(F)ccc1Cl.
What is the InChIKey of (1R)-1-(2-chloro-5-fluorophenyl)propane-1,3-diamine?
The InChIKey is ZDXPJKUKSJBPIO-SECBINFHSA-N. The full InChI is InChI=1S/C9H12ClFN2/c10-8-2-1-6(11)5-7(8)9(13)3-4-12/h1-2,5,9H,3-4,12-13H2/t9-/m1/s1.
What are the key properties of (1R)-1-(2-chloro-5-fluorophenyl)propane-1,3-diamine?
(1R)-1-(2-chloro-5-fluorophenyl)propane-1,3-diamine has a molecular weight of 202.66 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-chloro-5-fluorophenyl)propane-1,3-diamine is sourced from PubChem (CID 130854068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).