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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Related Compounds

Cyclopentyl 1,1-bis(trifluoromethyl)propylcarbamate
CID 1224888
tert-Butyl N-(2,2-difluoro-1-methylcyclopropyl)carbamate
CID 137704298
Isopropyl 2,2,2-trifluoro-1-methyl-1-(trifluoromethyl)ethylcarbamate
CID 46499456
Tert-butyl [1-(trifluoromethyl)cyclopropyl]carbamate
CID 11658639
4,4,4-trifluorobut-2-ynyl N-(1-methylcyclopropyl)carbamate
CID 21354768
[(2R)-1,1,1-trifluoropropan-2-yl] N-(1-acetylcyclopropyl)carbamate
CID 89694622
propan-2-yl N-[1-(trifluoromethyl)cyclopropyl]carbamate
CID 106211171
2,2,2-trifluoroethyl N-(1-acetylcyclopropyl)carbamate
CID 134421214
propan-2-yl N-(1,1-difluoro-2-methylpropan-2-yl)carbamate
CID 138551994
propan-2-yl N-(1,1,1-trifluoro-2-methylpropan-2-yl)carbamate
CID 138552399
tert-Butyl (1-(difluoromethyl)cyclopropyl)carbamate
CID 138750653
methyl N-[1-(2,2-difluoroethyl)cyclopropyl]carbamate
CID 139304621

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).