2-[1-(difluoromethyl)cyclopentyl]aniline

C12H15F2N — CID 84723299

IUPAC2-[1-(difluoromethyl)cyclopentyl]aniline
SMILESNc1ccccc1C1(C(F)F)CCCC1
InChIInChI=1S/C12H15F2N/c13-11(14)12(7-3-4-8-12)9-5-1-2-6-10(9)15/h1-2,5-6,11H,3-4,7-8,15H2
InChIKeyAFPHLRVRJPLUEZ-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.35
Rot. Bonds2

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

2-[1-(difluoromethyl)cyclopentyl]aniline (PubChem CID 84723299) has the molecular formula C12H15F2N and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)cyclopentyl]aniline.

Molecular Properties

Compound Name2-[1-(difluoromethyl)cyclopentyl]aniline
PubChem CID84723299
Molecular FormulaC12H15F2N
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-[1-(difluoromethyl)cyclopentyl]aniline
SMILESNc1ccccc1C1(C(F)F)CCCC1
InChIInChI=1S/C12H15F2N/c13-11(14)12(7-3-4-8-12)9-5-1-2-6-10(9)15/h1-2,5-6,11H,3-4,7-8,15H2
InChIKeyAFPHLRVRJPLUEZ-UHFFFAOYSA-N
XLogP3.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.35
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)cyclopentyl]aniline?
The IUPAC name of 2-[1-(difluoromethyl)cyclopentyl]aniline (CID 84723299) is 2-[1-(difluoromethyl)cyclopentyl]aniline.
What is the SMILES notation for 2-[1-(difluoromethyl)cyclopentyl]aniline?
The canonical SMILES for 2-[1-(difluoromethyl)cyclopentyl]aniline is Nc1ccccc1C1(C(F)F)CCCC1.
What is the InChIKey of 2-[1-(difluoromethyl)cyclopentyl]aniline?
The InChIKey is AFPHLRVRJPLUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c13-11(14)12(7-3-4-8-12)9-5-1-2-6-10(9)15/h1-2,5-6,11H,3-4,7-8,15H2.
What are the key properties of 2-[1-(difluoromethyl)cyclopentyl]aniline?
2-[1-(difluoromethyl)cyclopentyl]aniline has a molecular weight of 211.26 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)cyclopentyl]aniline is sourced from PubChem (CID 84723299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).