4-chloro-2-fluoro-N-(3-methoxycyclobutyl)aniline

C11H13ClFNO — CID 106821360

IUPAC4-chloro-2-fluoro-N-(3-methoxycyclobutyl)aniline
SMILESCOC1CC(Nc2ccc(Cl)cc2F)C1
InChIInChI=1S/C11H13ClFNO/c1-15-9-5-8(6-9)14-11-3-2-7(12)4-10(11)13/h2-4,8-9,14H,5-6H2,1H3
InChIKeyQKYJEBAFVMTBPP-UHFFFAOYSA-N
MW229.68 g/mol
LogP3.07
Rot. Bonds3

About 4-chloro-2-fluoro-N-(3-methoxycyclobutyl)aniline

4-chloro-2-fluoro-N-(3-methoxycyclobutyl)aniline (PubChem CID 106821360) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-(3-methoxycyclobutyl)aniline.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-(3-methoxycyclobutyl)aniline
PubChem CID106821360
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name4-chloro-2-fluoro-N-(3-methoxycyclobutyl)aniline
SMILESCOC1CC(Nc2ccc(Cl)cc2F)C1
InChIInChI=1S/C11H13ClFNO/c1-15-9-5-8(6-9)14-11-3-2-7(12)4-10(11)13/h2-4,8-9,14H,5-6H2,1H3
InChIKeyQKYJEBAFVMTBPP-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-(3-methoxycyclobutyl)aniline?
The IUPAC name of 4-chloro-2-fluoro-N-(3-methoxycyclobutyl)aniline (CID 106821360) is 4-chloro-2-fluoro-N-(3-methoxycyclobutyl)aniline.
What is the SMILES notation for 4-chloro-2-fluoro-N-(3-methoxycyclobutyl)aniline?
The canonical SMILES for 4-chloro-2-fluoro-N-(3-methoxycyclobutyl)aniline is COC1CC(Nc2ccc(Cl)cc2F)C1.
What is the InChIKey of 4-chloro-2-fluoro-N-(3-methoxycyclobutyl)aniline?
The InChIKey is QKYJEBAFVMTBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-15-9-5-8(6-9)14-11-3-2-7(12)4-10(11)13/h2-4,8-9,14H,5-6H2,1H3.
What are the key properties of 4-chloro-2-fluoro-N-(3-methoxycyclobutyl)aniline?
4-chloro-2-fluoro-N-(3-methoxycyclobutyl)aniline has a molecular weight of 229.68 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-(3-methoxycyclobutyl)aniline is sourced from PubChem (CID 106821360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).