1,1,1,3,3,3-hexafluoropropan-2-yl N,N-diethylcarbamate

C8H11F6NO2 — CID 118690318

IUPAC1,1,1,3,3,3-hexafluoropropan-2-yl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H11F6NO2/c1-3-15(4-2)6(16)17-5(7(9,10)11)8(12,13)14/h5H,3-4H2,1-2H3
InChIKeyWRMMEGAVIGBYRQ-UHFFFAOYSA-N
MW267.17 g/mol
LogP2.96
Rot. Bonds3

About 1,1,1,3,3,3-hexafluoropropan-2-yl N,N-diethylcarbamate

1,1,1,3,3,3-hexafluoropropan-2-yl N,N-diethylcarbamate (PubChem CID 118690318) has the molecular formula C8H11F6NO2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yl N,N-diethylcarbamate.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-yl N,N-diethylcarbamate
PubChem CID118690318
Molecular FormulaC8H11F6NO2
Molecular Weight267.17 g/mol
Exact Mass267.07
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-yl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H11F6NO2/c1-3-15(4-2)6(16)17-5(7(9,10)11)8(12,13)14/h5H,3-4H2,1-2H3
InChIKeyWRMMEGAVIGBYRQ-UHFFFAOYSA-N
XLogP2.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Carbamic acid, diethyl-, 2,2,2-trifluoroethyl ester
CID 10965508
Dimethylcarbamic acid 2,2,2-trifluoro-1-(trifluoromethyl)ethyl ester
CID 85868872
Propan-2-yl diethylcarbamate
CID 231820
2,2-difluoroethyl N,N-di(propan-2-yl)carbamate
CID 11020115
Propan-2-yl 3,3-difluoropyrrolidine-1-carboxylate
CID 57562708
ethyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate
CID 60762863
2,2,2-trifluoroethyl N-ethyl-N-methylcarbamate
CID 62734680
1,1,2,2,3-pentafluoropropyl N-(2-methoxyethyl)-N-methylcarbamate
CID 87169607
1,1,2,2,3-pentafluoropropyl N-ethyl-N-(2-methoxyethyl)carbamate
CID 87169661
2,2,2-trifluoroethyl N-ethyl-N-(methoxymethyl)carbamate
CID 87169675
1,1,2,2,3-pentafluoropropyl N-ethyl-N-(methoxymethyl)carbamate
CID 87169678
1,1,1,2,3,3-hexafluoropropan-2-yl N-(2-methoxyethyl)-N-methylcarbamate
CID 87169744

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl N,N-diethylcarbamate?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl N,N-diethylcarbamate (CID 118690318) is 1,1,1,3,3,3-hexafluoropropan-2-yl N,N-diethylcarbamate.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-yl N,N-diethylcarbamate?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yl N,N-diethylcarbamate is CCN(CC)C(=O)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-yl N,N-diethylcarbamate?
The InChIKey is WRMMEGAVIGBYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F6NO2/c1-3-15(4-2)6(16)17-5(7(9,10)11)8(12,13)14/h5H,3-4H2,1-2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yl N,N-diethylcarbamate?
1,1,1,3,3,3-hexafluoropropan-2-yl N,N-diethylcarbamate has a molecular weight of 267.17 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-yl N,N-diethylcarbamate is sourced from PubChem (CID 118690318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).