2-[1-(difluoromethyl)cyclobutyl]aniline

C11H13F2N — CID 84720879

IUPAC2-[1-(difluoromethyl)cyclobutyl]aniline
SMILESNc1ccccc1C1(C(F)F)CCC1
InChIInChI=1S/C11H13F2N/c12-10(13)11(6-3-7-11)8-4-1-2-5-9(8)14/h1-2,4-5,10H,3,6-7,14H2
InChIKeyKRPISHFNOURYMI-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.96
Rot. Bonds2

About 2-[1-(difluoromethyl)cyclobutyl]aniline

2-[1-(difluoromethyl)cyclobutyl]aniline (PubChem CID 84720879) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)cyclobutyl]aniline.

Molecular Properties

Compound Name2-[1-(difluoromethyl)cyclobutyl]aniline
PubChem CID84720879
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name2-[1-(difluoromethyl)cyclobutyl]aniline
SMILESNc1ccccc1C1(C(F)F)CCC1
InChIInChI=1S/C11H13F2N/c12-10(13)11(6-3-7-11)8-4-1-2-5-9(8)14/h1-2,4-5,10H,3,6-7,14H2
InChIKeyKRPISHFNOURYMI-UHFFFAOYSA-N
XLogP2.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)cyclobutyl]aniline?
The IUPAC name of 2-[1-(difluoromethyl)cyclobutyl]aniline (CID 84720879) is 2-[1-(difluoromethyl)cyclobutyl]aniline.
What is the SMILES notation for 2-[1-(difluoromethyl)cyclobutyl]aniline?
The canonical SMILES for 2-[1-(difluoromethyl)cyclobutyl]aniline is Nc1ccccc1C1(C(F)F)CCC1.
What is the InChIKey of 2-[1-(difluoromethyl)cyclobutyl]aniline?
The InChIKey is KRPISHFNOURYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N/c12-10(13)11(6-3-7-11)8-4-1-2-5-9(8)14/h1-2,4-5,10H,3,6-7,14H2.
What are the key properties of 2-[1-(difluoromethyl)cyclobutyl]aniline?
2-[1-(difluoromethyl)cyclobutyl]aniline has a molecular weight of 197.23 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)cyclobutyl]aniline is sourced from PubChem (CID 84720879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).