[(2R)-2-ethylhexyl] N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate

C13H21F6NO2 — CID 163144490

IUPAC[(2R)-2-ethylhexyl] N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate
SMILESCCCC[C@@H](CC)COC(=O)NC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H21F6NO2/c1-4-6-7-9(5-2)8-22-10(21)20-11(3,12(14,15)16)13(17,18)19/h9H,4-8H2,1-3H3,(H,20,21)/t9-/m1/s1
InChIKeyLADFWXCIBQAHBB-SECBINFHSA-N
MW337.30 g/mol
LogP4.81
Rot. Bonds7

About [(2R)-2-ethylhexyl] N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate

[(2R)-2-ethylhexyl] N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate (PubChem CID 163144490) has the molecular formula C13H21F6NO2 and a molecular weight of 337.30 g/mol. Its IUPAC name is [(2R)-2-ethylhexyl] N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate.

Molecular Properties

Compound Name[(2R)-2-ethylhexyl] N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate
PubChem CID163144490
Molecular FormulaC13H21F6NO2
Molecular Weight337.30 g/mol
Exact Mass337.15
IUPAC Name[(2R)-2-ethylhexyl] N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate
SMILESCCCC[C@@H](CC)COC(=O)NC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H21F6NO2/c1-4-6-7-9(5-2)8-22-10(21)20-11(3,12(14,15)16)13(17,18)19/h9H,4-8H2,1-3H3,(H,20,21)/t9-/m1/s1
InChIKeyLADFWXCIBQAHBB-SECBINFHSA-N
XLogP4.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethylhexyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 14598735
sodium;2-ethylhexyl N-(2-ethylhexyl)carbamate;hydride
CID 175143259
2-ethylhexyl N-ethenylcarbamate
CID 21260803
2-ethylhexyl 2-amino-2-methylbutanoate
CID 79799240
[(2R)-2-ethylhexoxy]carbonyloxy [(2S)-2-ethylhexyl] carbonate
CID 94863795
1-O-[(2S)-2-ethylhexyl] 4-O-[(2R)-2-ethylhexyl] (E)-but-2-enedioate
CID 42587879
2-ethylhexyl N-(2-methoxyethyl)carbamate
CID 18954420
2-ethylhexyl N-(4-hydroxybutyl)carbamate
CID 54017196
2-(2-ethylhexoxy)-1,1-difluoro-2-oxoethanesulfonic acid
CID 58021572
2-ethylhexyl (2S)-2-amino-3-methylbutanoate
CID 61302679
2-ethylhexyl 2,2,4,4-tetramethylpentanoate
CID 88906717
2-ethylhexyl N-[3,5-bis(methoxycarbonylamino)-1,3,5-triazinan-1-yl]carbamate
CID 67788052

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-ethylhexyl] N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate?
The IUPAC name of [(2R)-2-ethylhexyl] N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate (CID 163144490) is [(2R)-2-ethylhexyl] N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate.
What is the SMILES notation for [(2R)-2-ethylhexyl] N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate?
The canonical SMILES for [(2R)-2-ethylhexyl] N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate is CCCC[C@@H](CC)COC(=O)NC(C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [(2R)-2-ethylhexyl] N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate?
The InChIKey is LADFWXCIBQAHBB-SECBINFHSA-N. The full InChI is InChI=1S/C13H21F6NO2/c1-4-6-7-9(5-2)8-22-10(21)20-11(3,12(14,15)16)13(17,18)19/h9H,4-8H2,1-3H3,(H,20,21)/t9-/m1/s1.
What are the key properties of [(2R)-2-ethylhexyl] N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate?
[(2R)-2-ethylhexyl] N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate has a molecular weight of 337.30 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-ethylhexyl] N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate is sourced from PubChem (CID 163144490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).