1-(4,5-difluoro-2-methylphenyl)cyclopropan-1-amine

C10H11F2N — CID 84768959

IUPAC1-(4,5-difluoro-2-methylphenyl)cyclopropan-1-amine
SMILESCc1cc(F)c(F)cc1C1(N)CC1
InChIInChI=1S/C10H11F2N/c1-6-4-8(11)9(12)5-7(6)10(13)2-3-10/h4-5H,2-3,13H2,1H3
InChIKeyPEJRCJXEBVLIAA-UHFFFAOYSA-N
MW183.20 g/mol
LogP2.22
Rot. Bonds1

About 1-(4,5-difluoro-2-methylphenyl)cyclopropan-1-amine

1-(4,5-difluoro-2-methylphenyl)cyclopropan-1-amine (PubChem CID 84768959) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is 1-(4,5-difluoro-2-methylphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(4,5-difluoro-2-methylphenyl)cyclopropan-1-amine
PubChem CID84768959
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC Name1-(4,5-difluoro-2-methylphenyl)cyclopropan-1-amine
SMILESCc1cc(F)c(F)cc1C1(N)CC1
InChIInChI=1S/C10H11F2N/c1-6-4-8(11)9(12)5-7(6)10(13)2-3-10/h4-5H,2-3,13H2,1H3
InChIKeyPEJRCJXEBVLIAA-UHFFFAOYSA-N
XLogP2.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-difluoro-2-methylphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(4,5-difluoro-2-methylphenyl)cyclopropan-1-amine (CID 84768959) is 1-(4,5-difluoro-2-methylphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(4,5-difluoro-2-methylphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(4,5-difluoro-2-methylphenyl)cyclopropan-1-amine is Cc1cc(F)c(F)cc1C1(N)CC1.
What is the InChIKey of 1-(4,5-difluoro-2-methylphenyl)cyclopropan-1-amine?
The InChIKey is PEJRCJXEBVLIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N/c1-6-4-8(11)9(12)5-7(6)10(13)2-3-10/h4-5H,2-3,13H2,1H3.
What are the key properties of 1-(4,5-difluoro-2-methylphenyl)cyclopropan-1-amine?
1-(4,5-difluoro-2-methylphenyl)cyclopropan-1-amine has a molecular weight of 183.20 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-difluoro-2-methylphenyl)cyclopropan-1-amine is sourced from PubChem (CID 84768959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).