(2,3,6-trimethylphenyl) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate

C14H15F6NO2 — CID 3745854

IUPAC(2,3,6-trimethylphenyl) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate
SMILESCc1ccc(C)c(OC(=O)NC(C)(C(F)(F)F)C(F)(F)F)c1C
InChIInChI=1S/C14H15F6NO2/c1-7-5-6-8(2)10(9(7)3)23-11(22)21-12(4,13(15,16)17)14(18,19)20/h5-6H,1-4H3,(H,21,22)
InChIKeyZRJHUNHFCMCAQZ-UHFFFAOYSA-N
MW343.27 g/mol
LogP4.58
Rot. Bonds2

About (2,3,6-trimethylphenyl) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate

(2,3,6-trimethylphenyl) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate (PubChem CID 3745854) has the molecular formula C14H15F6NO2 and a molecular weight of 343.27 g/mol. Its IUPAC name is (2,3,6-trimethylphenyl) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate.

Molecular Properties

Compound Name(2,3,6-trimethylphenyl) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate
PubChem CID3745854
Molecular FormulaC14H15F6NO2
Molecular Weight343.27 g/mol
Exact Mass343.10
IUPAC Name(2,3,6-trimethylphenyl) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate
SMILESCc1ccc(C)c(OC(=O)NC(C)(C(F)(F)F)C(F)(F)F)c1C
InChIInChI=1S/C14H15F6NO2/c1-7-5-6-8(2)10(9(7)3)23-11(22)21-12(4,13(15,16)17)14(18,19)20/h5-6H,1-4H3,(H,21,22)
InChIKeyZRJHUNHFCMCAQZ-UHFFFAOYSA-N
XLogP4.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,3,6-trimethylphenyl) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate?
The IUPAC name of (2,3,6-trimethylphenyl) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate (CID 3745854) is (2,3,6-trimethylphenyl) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate.
What is the SMILES notation for (2,3,6-trimethylphenyl) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate?
The canonical SMILES for (2,3,6-trimethylphenyl) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate is Cc1ccc(C)c(OC(=O)NC(C)(C(F)(F)F)C(F)(F)F)c1C.
What is the InChIKey of (2,3,6-trimethylphenyl) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate?
The InChIKey is ZRJHUNHFCMCAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F6NO2/c1-7-5-6-8(2)10(9(7)3)23-11(22)21-12(4,13(15,16)17)14(18,19)20/h5-6H,1-4H3,(H,21,22).
What are the key properties of (2,3,6-trimethylphenyl) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate?
(2,3,6-trimethylphenyl) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate has a molecular weight of 343.27 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,6-trimethylphenyl) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate is sourced from PubChem (CID 3745854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).