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

C10H11ClFN — CID 82607558

IUPAC1-(4-chloro-3-fluorophenyl)cyclobutan-1-amine
SMILESNC1(c2ccc(Cl)c(F)c2)CCC1
InChIInChI=1S/C10H11ClFN/c11-8-3-2-7(6-9(8)12)10(13)4-1-5-10/h2-3,6H,1,4-5,13H2
InChIKeyKIWUMEQFOXXDAD-UHFFFAOYSA-N
MW199.66 g/mol
LogP2.82
Rot. Bonds1

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

1-(4-chloro-3-fluorophenyl)cyclobutan-1-amine (PubChem CID 82607558) has the molecular formula C10H11ClFN and a molecular weight of 199.66 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)cyclobutan-1-amine
PubChem CID82607558
Molecular FormulaC10H11ClFN
Molecular Weight199.66 g/mol
Exact Mass199.06
IUPAC Name1-(4-chloro-3-fluorophenyl)cyclobutan-1-amine
SMILESNC1(c2ccc(Cl)c(F)c2)CCC1
InChIInChI=1S/C10H11ClFN/c11-8-3-2-7(6-9(8)12)10(13)4-1-5-10/h2-3,6H,1,4-5,13H2
InChIKeyKIWUMEQFOXXDAD-UHFFFAOYSA-N
XLogP2.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-fluorophenyl)cyclobutan-1-amine;hydrochloride
CID 129033048
1-(3-fluoro-4-methylphenyl)cyclobutan-1-amine
CID 117278095
1-(4-chloro-3-fluorophenyl)cyclobutan-1-ol
CID 68719259
1-(3-chloro-4,5-difluorophenyl)cyclobutan-1-amine
CID 117310208
1-(3,4-dichlorophenyl)cycloheptan-1-amine
CID 43164287
1-(4-bromo-3-chloro-5-fluorophenyl)cyclobutan-1-amine
CID 117446827
1-(4-chloro-3-fluorophenyl)cyclopropan-1-ol
CID 107993183
1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine;hydrochloride
CID 162691811
1-[1-(4-chloro-3-fluorophenyl)cyclopropyl]ethanamine
CID 83689421
1-(4-chlorophenyl)cyclopentan-1-amine;hydrochloride
CID 47002947
1-(4-chloro-3-methoxyphenyl)cyclohexan-1-amine
CID 79700571
1-(4-fluoro-3-methylphenyl)cyclohexan-1-amine
CID 23289263

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)cyclobutan-1-amine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)cyclobutan-1-amine (CID 82607558) is 1-(4-chloro-3-fluorophenyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)cyclobutan-1-amine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)cyclobutan-1-amine is NC1(c2ccc(Cl)c(F)c2)CCC1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)cyclobutan-1-amine?
The InChIKey is KIWUMEQFOXXDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN/c11-8-3-2-7(6-9(8)12)10(13)4-1-5-10/h2-3,6H,1,4-5,13H2.
What are the key properties of 1-(4-chloro-3-fluorophenyl)cyclobutan-1-amine?
1-(4-chloro-3-fluorophenyl)cyclobutan-1-amine has a molecular weight of 199.66 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)cyclobutan-1-amine is sourced from PubChem (CID 82607558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).