1-(3-chloro-4-fluorophenyl)cyclobutan-1-amine;hydrochloride

C10H12Cl2FN — CID 129033048

IUPAC1-(3-chloro-4-fluorophenyl)cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2ccc(F)c(Cl)c2)CCC1
InChIInChI=1S/C10H11ClFN.ClH/c11-8-6-7(2-3-9(8)12)10(13)4-1-5-10;/h2-3,6H,1,4-5,13H2;1H
InChIKeyXKFWDAURJUTZDX-UHFFFAOYSA-N
MW236.12 g/mol
LogP3.24
Rot. Bonds1

About 1-(3-chloro-4-fluorophenyl)cyclobutan-1-amine;hydrochloride

1-(3-chloro-4-fluorophenyl)cyclobutan-1-amine;hydrochloride (PubChem CID 129033048) has the molecular formula C10H12Cl2FN and a molecular weight of 236.12 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)cyclobutan-1-amine;hydrochloride
PubChem CID129033048
Molecular FormulaC10H12Cl2FN
Molecular Weight236.12 g/mol
Exact Mass235.03
IUPAC Name1-(3-chloro-4-fluorophenyl)cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2ccc(F)c(Cl)c2)CCC1
InChIInChI=1S/C10H11ClFN.ClH/c11-8-6-7(2-3-9(8)12)10(13)4-1-5-10;/h2-3,6H,1,4-5,13H2;1H
InChIKeyXKFWDAURJUTZDX-UHFFFAOYSA-N
XLogP3.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.12
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-chloro-4-fluorophenyl)cyclobutan-1-amine;hydrochloride 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

1-(4-chloro-3-fluorophenyl)cyclobutan-1-amine
CID 82607558
1-(4-chlorophenyl)cyclopentan-1-amine;hydrochloride
CID 47002947
1-(3-chloro-4,5-difluorophenyl)cyclobutan-1-amine
CID 117310208
[1-(3-chloro-4-fluorophenyl)cyclobutyl]methanamine
CID 117304698
1-(3,4-dichlorophenyl)cycloheptan-1-amine
CID 43164287
1-(4-bromo-3-chloro-5-fluorophenyl)cyclobutan-1-amine
CID 117446827
1-(3-fluoro-4-methylphenyl)cyclobutan-1-amine
CID 117278095
1-(4-fluoro-3-methylphenyl)cyclohexan-1-amine
CID 23289263
1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine;hydrochloride
CID 162691811
1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-3-methylbutan-1-amine
CID 137333011
1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-N-methylmethanamine
CID 116963646
1-(3-chloro-4-morpholin-4-ylphenyl)cyclobutan-1-amine
CID 117420865

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)cyclobutan-1-amine;hydrochloride (CID 129033048) is 1-(3-chloro-4-fluorophenyl)cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)cyclobutan-1-amine;hydrochloride is Cl.NC1(c2ccc(F)c(Cl)c2)CCC1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)cyclobutan-1-amine;hydrochloride?
The InChIKey is XKFWDAURJUTZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN.ClH/c11-8-6-7(2-3-9(8)12)10(13)4-1-5-10;/h2-3,6H,1,4-5,13H2;1H.
What are the key properties of 1-(3-chloro-4-fluorophenyl)cyclobutan-1-amine;hydrochloride?
1-(3-chloro-4-fluorophenyl)cyclobutan-1-amine;hydrochloride has a molecular weight of 236.12 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 129033048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).