(1R)-1-(3-chloro-5-fluorophenyl)pentane-1,5-diamine

C11H16ClFN2 — CID 171204574

IUPAC(1R)-1-(3-chloro-5-fluorophenyl)pentane-1,5-diamine
SMILESNCCCC[C@@H](N)c1cc(F)cc(Cl)c1
InChIInChI=1S/C11H16ClFN2/c12-9-5-8(6-10(13)7-9)11(15)3-1-2-4-14/h5-7,11H,1-4,14-15H2/t11-/m1/s1
InChIKeyAIVPFHBOVJOUFH-LLVKDONJSA-N
MW230.71 g/mol
LogP2.61
Rot. Bonds5

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

(1R)-1-(3-chloro-5-fluorophenyl)pentane-1,5-diamine (PubChem CID 171204574) has the molecular formula C11H16ClFN2 and a molecular weight of 230.71 g/mol. Its IUPAC name is (1R)-1-(3-chloro-5-fluorophenyl)pentane-1,5-diamine.

Molecular Properties

Compound Name(1R)-1-(3-chloro-5-fluorophenyl)pentane-1,5-diamine
PubChem CID171204574
Molecular FormulaC11H16ClFN2
Molecular Weight230.71 g/mol
Exact Mass230.10
IUPAC Name(1R)-1-(3-chloro-5-fluorophenyl)pentane-1,5-diamine
SMILESNCCCC[C@@H](N)c1cc(F)cc(Cl)c1
InChIInChI=1S/C11H16ClFN2/c12-9-5-8(6-10(13)7-9)11(15)3-1-2-4-14/h5-7,11H,1-4,14-15H2/t11-/m1/s1
InChIKeyAIVPFHBOVJOUFH-LLVKDONJSA-N
XLogP2.61
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.71
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(3,5-difluorophenyl)pentane-1,5-diamine
CID 171224073
(1S)-1-(3-chloro-5-fluorophenyl)butan-1-amine
CID 131091213
1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine
CID 130061869
(1S)-1-(3-chloro-5-fluorophenyl)-4-methylpentan-1-amine
CID 171224175
(1R)-1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine;hydrochloride
CID 171224143
(1S)-1-(4-chloro-2-fluorophenyl)pentane-1,5-diamine
CID 171222468
(1S)-1-(3-bromo-5-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171223503
(1R)-1-(3,4-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171210029
(3R)-3-amino-3-(3-chloro-5-fluorophenyl)propanoic acid
CID 103693096
(1S)-1-(3,5-dichlorophenyl)hexan-1-amine
CID 171222079
1-(3,5-difluorophenyl)hexan-1-amine
CID 62605213
4-(3-chloro-5-fluorophenyl)butan-1-amine
CID 114454855

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chloro-5-fluorophenyl)pentane-1,5-diamine?
The IUPAC name of (1R)-1-(3-chloro-5-fluorophenyl)pentane-1,5-diamine (CID 171204574) is (1R)-1-(3-chloro-5-fluorophenyl)pentane-1,5-diamine.
What is the SMILES notation for (1R)-1-(3-chloro-5-fluorophenyl)pentane-1,5-diamine?
The canonical SMILES for (1R)-1-(3-chloro-5-fluorophenyl)pentane-1,5-diamine is NCCCC[C@@H](N)c1cc(F)cc(Cl)c1.
What is the InChIKey of (1R)-1-(3-chloro-5-fluorophenyl)pentane-1,5-diamine?
The InChIKey is AIVPFHBOVJOUFH-LLVKDONJSA-N. The full InChI is InChI=1S/C11H16ClFN2/c12-9-5-8(6-10(13)7-9)11(15)3-1-2-4-14/h5-7,11H,1-4,14-15H2/t11-/m1/s1.
What are the key properties of (1R)-1-(3-chloro-5-fluorophenyl)pentane-1,5-diamine?
(1R)-1-(3-chloro-5-fluorophenyl)pentane-1,5-diamine has a molecular weight of 230.71 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chloro-5-fluorophenyl)pentane-1,5-diamine is sourced from PubChem (CID 171204574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).