2-chloro-6-fluoro-N-(3-methylcyclobutyl)aniline

C11H13ClFN — CID 103562415

IUPAC2-chloro-6-fluoro-N-(3-methylcyclobutyl)aniline
SMILESCC1CC(Nc2c(F)cccc2Cl)C1
InChIInChI=1S/C11H13ClFN/c1-7-5-8(6-7)14-11-9(12)3-2-4-10(11)13/h2-4,7-8,14H,5-6H2,1H3
InChIKeyNRQYRJKTRWZGNK-UHFFFAOYSA-N
MW213.68 g/mol
LogP3.69
Rot. Bonds2

About 2-chloro-6-fluoro-N-(3-methylcyclobutyl)aniline

2-chloro-6-fluoro-N-(3-methylcyclobutyl)aniline (PubChem CID 103562415) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-(3-methylcyclobutyl)aniline.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-(3-methylcyclobutyl)aniline
PubChem CID103562415
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name2-chloro-6-fluoro-N-(3-methylcyclobutyl)aniline
SMILESCC1CC(Nc2c(F)cccc2Cl)C1
InChIInChI=1S/C11H13ClFN/c1-7-5-8(6-7)14-11-9(12)3-2-4-10(11)13/h2-4,7-8,14H,5-6H2,1H3
InChIKeyNRQYRJKTRWZGNK-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-(3-methylcyclobutyl)aniline?
The IUPAC name of 2-chloro-6-fluoro-N-(3-methylcyclobutyl)aniline (CID 103562415) is 2-chloro-6-fluoro-N-(3-methylcyclobutyl)aniline.
What is the SMILES notation for 2-chloro-6-fluoro-N-(3-methylcyclobutyl)aniline?
The canonical SMILES for 2-chloro-6-fluoro-N-(3-methylcyclobutyl)aniline is CC1CC(Nc2c(F)cccc2Cl)C1.
What is the InChIKey of 2-chloro-6-fluoro-N-(3-methylcyclobutyl)aniline?
The InChIKey is NRQYRJKTRWZGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN/c1-7-5-8(6-7)14-11-9(12)3-2-4-10(11)13/h2-4,7-8,14H,5-6H2,1H3.
What are the key properties of 2-chloro-6-fluoro-N-(3-methylcyclobutyl)aniline?
2-chloro-6-fluoro-N-(3-methylcyclobutyl)aniline has a molecular weight of 213.68 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-(3-methylcyclobutyl)aniline is sourced from PubChem (CID 103562415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).