(1R)-1-(3,4-difluorophenyl)pentane-1,5-diamine;hydrochloride

C11H17ClF2N2 — CID 171210029

IUPAC(1R)-1-(3,4-difluorophenyl)pentane-1,5-diamine;hydrochloride
SMILESCl.NCCCC[C@@H](N)c1ccc(F)c(F)c1
InChIInChI=1S/C11H16F2N2.ClH/c12-9-5-4-8(7-10(9)13)11(15)3-1-2-6-14;/h4-5,7,11H,1-3,6,14-15H2;1H/t11-;/m1./s1
InChIKeyJLMXLSBJTQJAAK-RFVHGSKJSA-N
MW250.72 g/mol
LogP2.52
Rot. Bonds5

About (1R)-1-(3,4-difluorophenyl)pentane-1,5-diamine;hydrochloride

(1R)-1-(3,4-difluorophenyl)pentane-1,5-diamine;hydrochloride (PubChem CID 171210029) has the molecular formula C11H17ClF2N2 and a molecular weight of 250.72 g/mol. Its IUPAC name is (1R)-1-(3,4-difluorophenyl)pentane-1,5-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3,4-difluorophenyl)pentane-1,5-diamine;hydrochloride
PubChem CID171210029
Molecular FormulaC11H17ClF2N2
Molecular Weight250.72 g/mol
Exact Mass250.10
IUPAC Name(1R)-1-(3,4-difluorophenyl)pentane-1,5-diamine;hydrochloride
SMILESCl.NCCCC[C@@H](N)c1ccc(F)c(F)c1
InChIInChI=1S/C11H16F2N2.ClH/c12-9-5-4-8(7-10(9)13)11(15)3-1-2-6-14;/h4-5,7,11H,1-3,6,14-15H2;1H/t11-;/m1./s1
InChIKeyJLMXLSBJTQJAAK-RFVHGSKJSA-N
XLogP2.52
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.72
LogP ≤ 52.52
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

1-(3,4-difluorophenyl)hexan-1-amine;hydrochloride
CID 86262840
5-amino-5-(3,4-difluorophenyl)pentan-1-ol
CID 82367220
(1S)-1-(3-fluoro-4-methylphenyl)pentane-1,5-diamine
CID 171223924
(1S)-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentane-1,5-diamine;hydrochloride
CID 171222149
(1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;hydrochloride
CID 171229067
(3S)-3-amino-3-(3,4-difluorophenyl)propan-1-ol;hydrochloride
CID 171229659
(1R)-1-(3-chloro-4-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171201385
(1S)-1-(3-bromo-4-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171220445
(1R)-1-(4-fluoro-3-methoxyphenyl)pentane-1,5-diamine
CID 171205855
1-(3,4-difluorophenyl)-4-methylpentan-1-amine
CID 43210140
1-(3,4-difluorophenyl)-4-methoxybutan-1-amine
CID 62600679
(1R)-1-(3,4-dimethylphenyl)pentane-1,5-diamine;hydrochloride
CID 171200476

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,4-difluorophenyl)pentane-1,5-diamine;hydrochloride?
The IUPAC name of (1R)-1-(3,4-difluorophenyl)pentane-1,5-diamine;hydrochloride (CID 171210029) is (1R)-1-(3,4-difluorophenyl)pentane-1,5-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-(3,4-difluorophenyl)pentane-1,5-diamine;hydrochloride?
The canonical SMILES for (1R)-1-(3,4-difluorophenyl)pentane-1,5-diamine;hydrochloride is Cl.NCCCC[C@@H](N)c1ccc(F)c(F)c1.
What is the InChIKey of (1R)-1-(3,4-difluorophenyl)pentane-1,5-diamine;hydrochloride?
The InChIKey is JLMXLSBJTQJAAK-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H16F2N2.ClH/c12-9-5-4-8(7-10(9)13)11(15)3-1-2-6-14;/h4-5,7,11H,1-3,6,14-15H2;1H/t11-;/m1./s1.
What are the key properties of (1R)-1-(3,4-difluorophenyl)pentane-1,5-diamine;hydrochloride?
(1R)-1-(3,4-difluorophenyl)pentane-1,5-diamine;hydrochloride has a molecular weight of 250.72 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,4-difluorophenyl)pentane-1,5-diamine;hydrochloride is sourced from PubChem (CID 171210029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).