2-[1-(difluoromethyl)cyclopropyl]aniline

C10H11F2N — CID 84718752

IUPAC2-[1-(difluoromethyl)cyclopropyl]aniline
SMILESNc1ccccc1C1(C(F)F)CC1
InChIInChI=1S/C10H11F2N/c11-9(12)10(5-6-10)7-3-1-2-4-8(7)13/h1-4,9H,5-6,13H2
InChIKeyVWIFUABFLFYGLI-UHFFFAOYSA-N
MW183.20 g/mol
LogP2.57
Rot. Bonds2

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

2-[1-(difluoromethyl)cyclopropyl]aniline (PubChem CID 84718752) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)cyclopropyl]aniline.

Molecular Properties

Compound Name2-[1-(difluoromethyl)cyclopropyl]aniline
PubChem CID84718752
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC Name2-[1-(difluoromethyl)cyclopropyl]aniline
SMILESNc1ccccc1C1(C(F)F)CC1
InChIInChI=1S/C10H11F2N/c11-9(12)10(5-6-10)7-3-1-2-4-8(7)13/h1-4,9H,5-6,13H2
InChIKeyVWIFUABFLFYGLI-UHFFFAOYSA-N
XLogP2.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 52.57
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)cyclopropyl]aniline?
The IUPAC name of 2-[1-(difluoromethyl)cyclopropyl]aniline (CID 84718752) is 2-[1-(difluoromethyl)cyclopropyl]aniline.
What is the SMILES notation for 2-[1-(difluoromethyl)cyclopropyl]aniline?
The canonical SMILES for 2-[1-(difluoromethyl)cyclopropyl]aniline is Nc1ccccc1C1(C(F)F)CC1.
What is the InChIKey of 2-[1-(difluoromethyl)cyclopropyl]aniline?
The InChIKey is VWIFUABFLFYGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N/c11-9(12)10(5-6-10)7-3-1-2-4-8(7)13/h1-4,9H,5-6,13H2.
What are the key properties of 2-[1-(difluoromethyl)cyclopropyl]aniline?
2-[1-(difluoromethyl)cyclopropyl]aniline has a molecular weight of 183.20 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)cyclopropyl]aniline is sourced from PubChem (CID 84718752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).