4-cyclopropyl-2,6-difluoro-N-methylaniline

C10H11F2N — CID 177162139

IUPAC4-cyclopropyl-2,6-difluoro-N-methylaniline
SMILESCNc1c(F)cc(C2CC2)cc1F
InChIInChI=1S/C10H11F2N/c1-13-10-8(11)4-7(5-9(10)12)6-2-3-6/h4-6,13H,2-3H2,1H3
InChIKeyPMOOSINQDSJPDB-UHFFFAOYSA-N
MW183.20 g/mol
LogP2.88
Rot. Bonds2

About 4-cyclopropyl-2,6-difluoro-N-methylaniline

4-cyclopropyl-2,6-difluoro-N-methylaniline (PubChem CID 177162139) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is 4-cyclopropyl-2,6-difluoro-N-methylaniline.

Molecular Properties

Compound Name4-cyclopropyl-2,6-difluoro-N-methylaniline
PubChem CID177162139
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC Name4-cyclopropyl-2,6-difluoro-N-methylaniline
SMILESCNc1c(F)cc(C2CC2)cc1F
InChIInChI=1S/C10H11F2N/c1-13-10-8(11)4-7(5-9(10)12)6-2-3-6/h4-6,13H,2-3H2,1H3
InChIKeyPMOOSINQDSJPDB-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2,6-difluoro-N-methylaniline?
The IUPAC name of 4-cyclopropyl-2,6-difluoro-N-methylaniline (CID 177162139) is 4-cyclopropyl-2,6-difluoro-N-methylaniline.
What is the SMILES notation for 4-cyclopropyl-2,6-difluoro-N-methylaniline?
The canonical SMILES for 4-cyclopropyl-2,6-difluoro-N-methylaniline is CNc1c(F)cc(C2CC2)cc1F.
What is the InChIKey of 4-cyclopropyl-2,6-difluoro-N-methylaniline?
The InChIKey is PMOOSINQDSJPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N/c1-13-10-8(11)4-7(5-9(10)12)6-2-3-6/h4-6,13H,2-3H2,1H3.
What are the key properties of 4-cyclopropyl-2,6-difluoro-N-methylaniline?
4-cyclopropyl-2,6-difluoro-N-methylaniline has a molecular weight of 183.20 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2,6-difluoro-N-methylaniline is sourced from PubChem (CID 177162139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).