propan-2-yl N-[1-(2,2-difluoroethyl)cyclopropyl]carbamate

C9H15F2NO2 — CID 138552375

IUPACpropan-2-yl N-[1-(2,2-difluoroethyl)cyclopropyl]carbamate
SMILESCC(C)OC(=O)NC1(CC(F)F)CC1
InChIInChI=1S/C9H15F2NO2/c1-6(2)14-8(13)12-9(3-4-9)5-7(10)11/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyDYPRVOKDBTUADI-UHFFFAOYSA-N
MW207.22 g/mol
LogP2.31
Rot. Bonds4

About propan-2-yl N-[1-(2,2-difluoroethyl)cyclopropyl]carbamate

propan-2-yl N-[1-(2,2-difluoroethyl)cyclopropyl]carbamate (PubChem CID 138552375) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is propan-2-yl N-[1-(2,2-difluoroethyl)cyclopropyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[1-(2,2-difluoroethyl)cyclopropyl]carbamate
PubChem CID138552375
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Namepropan-2-yl N-[1-(2,2-difluoroethyl)cyclopropyl]carbamate
SMILESCC(C)OC(=O)NC1(CC(F)F)CC1
InChIInChI=1S/C9H15F2NO2/c1-6(2)14-8(13)12-9(3-4-9)5-7(10)11/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyDYPRVOKDBTUADI-UHFFFAOYSA-N
XLogP2.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[1-(2,2-difluoroethyl)cyclopropyl]carbamate?
The IUPAC name of propan-2-yl N-[1-(2,2-difluoroethyl)cyclopropyl]carbamate (CID 138552375) is propan-2-yl N-[1-(2,2-difluoroethyl)cyclopropyl]carbamate.
What is the SMILES notation for propan-2-yl N-[1-(2,2-difluoroethyl)cyclopropyl]carbamate?
The canonical SMILES for propan-2-yl N-[1-(2,2-difluoroethyl)cyclopropyl]carbamate is CC(C)OC(=O)NC1(CC(F)F)CC1.
What is the InChIKey of propan-2-yl N-[1-(2,2-difluoroethyl)cyclopropyl]carbamate?
The InChIKey is DYPRVOKDBTUADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-6(2)14-8(13)12-9(3-4-9)5-7(10)11/h6-7H,3-5H2,1-2H3,(H,12,13).
What are the key properties of propan-2-yl N-[1-(2,2-difluoroethyl)cyclopropyl]carbamate?
propan-2-yl N-[1-(2,2-difluoroethyl)cyclopropyl]carbamate has a molecular weight of 207.22 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[1-(2,2-difluoroethyl)cyclopropyl]carbamate is sourced from PubChem (CID 138552375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).