2-chloro-4,6-difluoro-N-(3-methylcyclobutyl)aniline

C11H12ClF2N — CID 103562281

IUPAC2-chloro-4,6-difluoro-N-(3-methylcyclobutyl)aniline
SMILESCC1CC(Nc2c(F)cc(F)cc2Cl)C1
InChIInChI=1S/C11H12ClF2N/c1-6-2-8(3-6)15-11-9(12)4-7(13)5-10(11)14/h4-6,8,15H,2-3H2,1H3
InChIKeyHNIVTWMCOOEMFR-UHFFFAOYSA-N
MW231.67 g/mol
LogP3.83
Rot. Bonds2

About 2-chloro-4,6-difluoro-N-(3-methylcyclobutyl)aniline

2-chloro-4,6-difluoro-N-(3-methylcyclobutyl)aniline (PubChem CID 103562281) has the molecular formula C11H12ClF2N and a molecular weight of 231.67 g/mol. Its IUPAC name is 2-chloro-4,6-difluoro-N-(3-methylcyclobutyl)aniline.

Molecular Properties

Compound Name2-chloro-4,6-difluoro-N-(3-methylcyclobutyl)aniline
PubChem CID103562281
Molecular FormulaC11H12ClF2N
Molecular Weight231.67 g/mol
Exact Mass231.06
IUPAC Name2-chloro-4,6-difluoro-N-(3-methylcyclobutyl)aniline
SMILESCC1CC(Nc2c(F)cc(F)cc2Cl)C1
InChIInChI=1S/C11H12ClF2N/c1-6-2-8(3-6)15-11-9(12)4-7(13)5-10(11)14/h4-6,8,15H,2-3H2,1H3
InChIKeyHNIVTWMCOOEMFR-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.67
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-difluoro-N-(3-methylcyclobutyl)aniline?
The IUPAC name of 2-chloro-4,6-difluoro-N-(3-methylcyclobutyl)aniline (CID 103562281) is 2-chloro-4,6-difluoro-N-(3-methylcyclobutyl)aniline.
What is the SMILES notation for 2-chloro-4,6-difluoro-N-(3-methylcyclobutyl)aniline?
The canonical SMILES for 2-chloro-4,6-difluoro-N-(3-methylcyclobutyl)aniline is CC1CC(Nc2c(F)cc(F)cc2Cl)C1.
What is the InChIKey of 2-chloro-4,6-difluoro-N-(3-methylcyclobutyl)aniline?
The InChIKey is HNIVTWMCOOEMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2N/c1-6-2-8(3-6)15-11-9(12)4-7(13)5-10(11)14/h4-6,8,15H,2-3H2,1H3.
What are the key properties of 2-chloro-4,6-difluoro-N-(3-methylcyclobutyl)aniline?
2-chloro-4,6-difluoro-N-(3-methylcyclobutyl)aniline has a molecular weight of 231.67 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-difluoro-N-(3-methylcyclobutyl)aniline is sourced from PubChem (CID 103562281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).