N-[[2-(2,3-difluorophenyl)oxolan-3-yl]methyl]cyclopropanamine

C14H17F2NO — CID 79368837

IUPACN-[[2-(2,3-difluorophenyl)oxolan-3-yl]methyl]cyclopropanamine
SMILESFc1cccc(C2OCCC2CNC2CC2)c1F
InChIInChI=1S/C14H17F2NO/c15-12-3-1-2-11(13(12)16)14-9(6-7-18-14)8-17-10-4-5-10/h1-3,9-10,14,17H,4-8H2
InChIKeyXUKDLEVCHHPFLZ-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.79
Rot. Bonds4

About N-[[2-(2,3-difluorophenyl)oxolan-3-yl]methyl]cyclopropanamine

N-[[2-(2,3-difluorophenyl)oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 79368837) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is N-[[2-(2,3-difluorophenyl)oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2,3-difluorophenyl)oxolan-3-yl]methyl]cyclopropanamine
PubChem CID79368837
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC NameN-[[2-(2,3-difluorophenyl)oxolan-3-yl]methyl]cyclopropanamine
SMILESFc1cccc(C2OCCC2CNC2CC2)c1F
InChIInChI=1S/C14H17F2NO/c15-12-3-1-2-11(13(12)16)14-9(6-7-18-14)8-17-10-4-5-10/h1-3,9-10,14,17H,4-8H2
InChIKeyXUKDLEVCHHPFLZ-UHFFFAOYSA-N
XLogP2.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-difluorophenyl)oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2,3-difluorophenyl)oxolan-3-yl]methyl]cyclopropanamine (CID 79368837) is N-[[2-(2,3-difluorophenyl)oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2,3-difluorophenyl)oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2,3-difluorophenyl)oxolan-3-yl]methyl]cyclopropanamine is Fc1cccc(C2OCCC2CNC2CC2)c1F.
What is the InChIKey of N-[[2-(2,3-difluorophenyl)oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is XUKDLEVCHHPFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO/c15-12-3-1-2-11(13(12)16)14-9(6-7-18-14)8-17-10-4-5-10/h1-3,9-10,14,17H,4-8H2.
What are the key properties of N-[[2-(2,3-difluorophenyl)oxolan-3-yl]methyl]cyclopropanamine?
N-[[2-(2,3-difluorophenyl)oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 253.29 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-difluorophenyl)oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79368837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).