2,2-difluoroethyl N,N-di(propan-2-yl)carbamate

C9H17F2NO2 — CID 11020115

IUPAC2,2-difluoroethyl N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)OCC(F)F)C(C)C
InChIInChI=1S/C9H17F2NO2/c1-6(2)12(7(3)4)9(13)14-5-8(10)11/h6-8H,5H2,1-4H3
InChIKeyKTNLIJOGBCIFGQ-UHFFFAOYSA-N
MW209.24 g/mol
LogP2.51
Rot. Bonds4

About 2,2-difluoroethyl N,N-di(propan-2-yl)carbamate

2,2-difluoroethyl N,N-di(propan-2-yl)carbamate (PubChem CID 11020115) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2,2-difluoroethyl N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name2,2-difluoroethyl N,N-di(propan-2-yl)carbamate
PubChem CID11020115
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC Name2,2-difluoroethyl N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)OCC(F)F)C(C)C
InChIInChI=1S/C9H17F2NO2/c1-6(2)12(7(3)4)9(13)14-5-8(10)11/h6-8H,5H2,1-4H3
InChIKeyKTNLIJOGBCIFGQ-UHFFFAOYSA-N
XLogP2.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl diisopropylcarbamate
CID 30213
Carbamic acid, diethyl-, 2,2,2-trifluoroethyl ester
CID 10965508
Diethylcarbamic acid 2,2,2-trifluoro-1-(trifluoromethyl)ethyl ester
CID 118690318
Isobutylcarbamate, N,N-diisopropyl
CID 52921001
2-fluoroethyl N,N-dipropylcarbamate
CID 129671671
ethyl N-(2,2,2-trifluoro-1-methylethyl)-N-methylcarbamate
CID 18439257
1-[Di(propan-2-yl)amino]ethyl 2,2,2-trifluoroacetate
CID 57007638
ethyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate
CID 60762863
2,2,2-trifluoroethyl N-ethyl-N-methylcarbamate
CID 62734680
2,2,2-trifluoroethyl N-ethyl-N-(methoxymethyl)carbamate
CID 87169675
1,1,2,2,3-pentafluoropropyl N-ethyl-N-(methoxymethyl)carbamate
CID 87169678
tert-butyl N-propyl-N-[(2S)-4,4,4-trifluorobutan-2-yl]carbamate
CID 88270628

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethyl N,N-di(propan-2-yl)carbamate?
The IUPAC name of 2,2-difluoroethyl N,N-di(propan-2-yl)carbamate (CID 11020115) is 2,2-difluoroethyl N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for 2,2-difluoroethyl N,N-di(propan-2-yl)carbamate?
The canonical SMILES for 2,2-difluoroethyl N,N-di(propan-2-yl)carbamate is CC(C)N(C(=O)OCC(F)F)C(C)C.
What is the InChIKey of 2,2-difluoroethyl N,N-di(propan-2-yl)carbamate?
The InChIKey is KTNLIJOGBCIFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2/c1-6(2)12(7(3)4)9(13)14-5-8(10)11/h6-8H,5H2,1-4H3.
What are the key properties of 2,2-difluoroethyl N,N-di(propan-2-yl)carbamate?
2,2-difluoroethyl N,N-di(propan-2-yl)carbamate has a molecular weight of 209.24 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethyl N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 11020115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).