N-[2-(3,5-difluorophenyl)-2,2-difluoroethyl]cyclopropanamine

C11H11F4N — CID 83107512

IUPACN-[2-(3,5-difluorophenyl)-2,2-difluoroethyl]cyclopropanamine
SMILESFc1cc(F)cc(C(F)(F)CNC2CC2)c1
InChIInChI=1S/C11H11F4N/c12-8-3-7(4-9(13)5-8)11(14,15)6-16-10-1-2-10/h3-5,10,16H,1-2,6H2
InChIKeyPNMNDKPLGCXWET-UHFFFAOYSA-N
MW233.21 g/mol
LogP2.81
Rot. Bonds4

About N-[2-(3,5-difluorophenyl)-2,2-difluoroethyl]cyclopropanamine

N-[2-(3,5-difluorophenyl)-2,2-difluoroethyl]cyclopropanamine (PubChem CID 83107512) has the molecular formula C11H11F4N and a molecular weight of 233.21 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)-2,2-difluoroethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)-2,2-difluoroethyl]cyclopropanamine
PubChem CID83107512
Molecular FormulaC11H11F4N
Molecular Weight233.21 g/mol
Exact Mass233.08
IUPAC NameN-[2-(3,5-difluorophenyl)-2,2-difluoroethyl]cyclopropanamine
SMILESFc1cc(F)cc(C(F)(F)CNC2CC2)c1
InChIInChI=1S/C11H11F4N/c12-8-3-7(4-9(13)5-8)11(14,15)6-16-10-1-2-10/h3-5,10,16H,1-2,6H2
InChIKeyPNMNDKPLGCXWET-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)-2,2-difluoroethyl]cyclopropanamine?
The IUPAC name of N-[2-(3,5-difluorophenyl)-2,2-difluoroethyl]cyclopropanamine (CID 83107512) is N-[2-(3,5-difluorophenyl)-2,2-difluoroethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)-2,2-difluoroethyl]cyclopropanamine?
The canonical SMILES for N-[2-(3,5-difluorophenyl)-2,2-difluoroethyl]cyclopropanamine is Fc1cc(F)cc(C(F)(F)CNC2CC2)c1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)-2,2-difluoroethyl]cyclopropanamine?
The InChIKey is PNMNDKPLGCXWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4N/c12-8-3-7(4-9(13)5-8)11(14,15)6-16-10-1-2-10/h3-5,10,16H,1-2,6H2.
What are the key properties of N-[2-(3,5-difluorophenyl)-2,2-difluoroethyl]cyclopropanamine?
N-[2-(3,5-difluorophenyl)-2,2-difluoroethyl]cyclopropanamine has a molecular weight of 233.21 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)-2,2-difluoroethyl]cyclopropanamine is sourced from PubChem (CID 83107512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).