1-(3-chloro-2-fluorophenyl)cyclobutan-1-amine

C10H11ClFN — CID 79005003

IUPAC1-(3-chloro-2-fluorophenyl)cyclobutan-1-amine
SMILESNC1(c2cccc(Cl)c2F)CCC1
InChIInChI=1S/C10H11ClFN/c11-8-4-1-3-7(9(8)12)10(13)5-2-6-10/h1,3-4H,2,5-6,13H2
InChIKeyUQHDACRCZIGKMV-UHFFFAOYSA-N
MW199.66 g/mol
LogP2.82
Rot. Bonds1

About 1-(3-chloro-2-fluorophenyl)cyclobutan-1-amine

1-(3-chloro-2-fluorophenyl)cyclobutan-1-amine (PubChem CID 79005003) has the molecular formula C10H11ClFN and a molecular weight of 199.66 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)cyclobutan-1-amine
PubChem CID79005003
Molecular FormulaC10H11ClFN
Molecular Weight199.66 g/mol
Exact Mass199.06
IUPAC Name1-(3-chloro-2-fluorophenyl)cyclobutan-1-amine
SMILESNC1(c2cccc(Cl)c2F)CCC1
InChIInChI=1S/C10H11ClFN/c11-8-4-1-3-7(9(8)12)10(13)5-2-6-10/h1,3-4H,2,5-6,13H2
InChIKeyUQHDACRCZIGKMV-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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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)cyclobutan-1-amine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)cyclobutan-1-amine (CID 79005003) is 1-(3-chloro-2-fluorophenyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)cyclobutan-1-amine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)cyclobutan-1-amine is NC1(c2cccc(Cl)c2F)CCC1.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)cyclobutan-1-amine?
The InChIKey is UQHDACRCZIGKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN/c11-8-4-1-3-7(9(8)12)10(13)5-2-6-10/h1,3-4H,2,5-6,13H2.
What are the key properties of 1-(3-chloro-2-fluorophenyl)cyclobutan-1-amine?
1-(3-chloro-2-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-(3-chloro-2-fluorophenyl)cyclobutan-1-amine is sourced from PubChem (CID 79005003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).