ethyl N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]carbamate

C15H19F2NO2 — CID 84581564

IUPACethyl N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]carbamate
SMILESCCOC(=O)NCC1(c2ccc(F)cc2F)CC1(C)C
InChIInChI=1S/C15H19F2NO2/c1-4-20-13(19)18-9-15(8-14(15,2)3)11-6-5-10(16)7-12(11)17/h5-7H,4,8-9H2,1-3H3,(H,18,19)
InChIKeyCAYSVWZEXVRDGZ-UHFFFAOYSA-N
MW283.32 g/mol
LogP3.38
Rot. Bonds4

About ethyl N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]carbamate

ethyl N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]carbamate (PubChem CID 84581564) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is ethyl N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]carbamate
PubChem CID84581564
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Nameethyl N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]carbamate
SMILESCCOC(=O)NCC1(c2ccc(F)cc2F)CC1(C)C
InChIInChI=1S/C15H19F2NO2/c1-4-20-13(19)18-9-15(8-14(15,2)3)11-6-5-10(16)7-12(11)17/h5-7H,4,8-9H2,1-3H3,(H,18,19)
InChIKeyCAYSVWZEXVRDGZ-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]carbamate?
The IUPAC name of ethyl N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]carbamate (CID 84581564) is ethyl N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]carbamate.
What is the SMILES notation for ethyl N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]carbamate?
The canonical SMILES for ethyl N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]carbamate is CCOC(=O)NCC1(c2ccc(F)cc2F)CC1(C)C.
What is the InChIKey of ethyl N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]carbamate?
The InChIKey is CAYSVWZEXVRDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-4-20-13(19)18-9-15(8-14(15,2)3)11-6-5-10(16)7-12(11)17/h5-7H,4,8-9H2,1-3H3,(H,18,19).
What are the key properties of ethyl N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]carbamate?
ethyl N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]carbamate has a molecular weight of 283.32 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]carbamate is sourced from PubChem (CID 84581564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).