(1R)-1-(2,5-dichlorophenyl)-3-fluoropropan-1-amine

C9H10Cl2FN — CID 131460461

IUPAC(1R)-1-(2,5-dichlorophenyl)-3-fluoropropan-1-amine
SMILESN[C@H](CCF)c1cc(Cl)ccc1Cl
InChIInChI=1S/C9H10Cl2FN/c10-6-1-2-8(11)7(5-6)9(13)3-4-12/h1-2,5,9H,3-4,13H2/t9-/m1/s1
InChIKeyNYFJYEUQYXGCBO-SECBINFHSA-N
MW222.09 g/mol
LogP3.35
Rot. Bonds3

About (1R)-1-(2,5-dichlorophenyl)-3-fluoropropan-1-amine

(1R)-1-(2,5-dichlorophenyl)-3-fluoropropan-1-amine (PubChem CID 131460461) has the molecular formula C9H10Cl2FN and a molecular weight of 222.09 g/mol. Its IUPAC name is (1R)-1-(2,5-dichlorophenyl)-3-fluoropropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(2,5-dichlorophenyl)-3-fluoropropan-1-amine
PubChem CID131460461
Molecular FormulaC9H10Cl2FN
Molecular Weight222.09 g/mol
Exact Mass221.02
IUPAC Name(1R)-1-(2,5-dichlorophenyl)-3-fluoropropan-1-amine
SMILESN[C@H](CCF)c1cc(Cl)ccc1Cl
InChIInChI=1S/C9H10Cl2FN/c10-6-1-2-8(11)7(5-6)9(13)3-4-12/h1-2,5,9H,3-4,13H2/t9-/m1/s1
InChIKeyNYFJYEUQYXGCBO-SECBINFHSA-N
XLogP3.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.09
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R)-1-(2,5-dichlorophenyl)-3-fluoropropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(2,5-dichlorophenyl)propane-1,3-diamine
CID 131122702
(1S)-1-(2,4-dichlorophenyl)-3-fluoropropan-1-amine
CID 131303992
(1R)-1-(2,5-dichlorophenyl)pentane-1,5-diamine
CID 171202730
(1R)-1-(2-bromo-4-chlorophenyl)-3-fluoropropan-1-amine
CID 131362641
1-(2,5-dichlorophenyl)-3-methoxypropan-1-amine
CID 62790378
(1R)-1-(2-chloro-5-fluorophenyl)propane-1,3-diamine
CID 130854068
(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine;hydrochloride
CID 171229194
(1S)-1-(2,5-dichlorophenyl)propan-1-amine
CID 26342063
(1S)-1-(2-chloro-5-nitrophenyl)-3-fluoropropan-1-amine
CID 171226335
1-(5-chloro-2-fluorophenyl)butane-1,4-diamine
CID 116933749
(1R)-1-(2-chloro-5-fluorophenyl)pentane-1,5-diamine
CID 171204613
(1S)-1-(2-chloro-5-fluorophenyl)pentane-1,5-diamine
CID 171224187

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,5-dichlorophenyl)-3-fluoropropan-1-amine?
The IUPAC name of (1R)-1-(2,5-dichlorophenyl)-3-fluoropropan-1-amine (CID 131460461) is (1R)-1-(2,5-dichlorophenyl)-3-fluoropropan-1-amine.
What is the SMILES notation for (1R)-1-(2,5-dichlorophenyl)-3-fluoropropan-1-amine?
The canonical SMILES for (1R)-1-(2,5-dichlorophenyl)-3-fluoropropan-1-amine is N[C@H](CCF)c1cc(Cl)ccc1Cl.
What is the InChIKey of (1R)-1-(2,5-dichlorophenyl)-3-fluoropropan-1-amine?
The InChIKey is NYFJYEUQYXGCBO-SECBINFHSA-N. The full InChI is InChI=1S/C9H10Cl2FN/c10-6-1-2-8(11)7(5-6)9(13)3-4-12/h1-2,5,9H,3-4,13H2/t9-/m1/s1.
What are the key properties of (1R)-1-(2,5-dichlorophenyl)-3-fluoropropan-1-amine?
(1R)-1-(2,5-dichlorophenyl)-3-fluoropropan-1-amine has a molecular weight of 222.09 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,5-dichlorophenyl)-3-fluoropropan-1-amine is sourced from PubChem (CID 131460461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).