(3,4-dimethylcyclohexyl) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate

C13H19F6NO2 — CID 3614402

IUPAC(3,4-dimethylcyclohexyl) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate
SMILESCC1CCC(OC(=O)NC(C)(C(F)(F)F)C(F)(F)F)CC1C
InChIInChI=1S/C13H19F6NO2/c1-7-4-5-9(6-8(7)2)22-10(21)20-11(3,12(14,15)16)13(17,18)19/h7-9H,4-6H2,1-3H3,(H,20,21)
InChIKeyHSYKUCUHSYQGQW-UHFFFAOYSA-N
MW335.29 g/mol
LogP4.42
Rot. Bonds2

About (3,4-dimethylcyclohexyl) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate

(3,4-dimethylcyclohexyl) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate (PubChem CID 3614402) has the molecular formula C13H19F6NO2 and a molecular weight of 335.29 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate
PubChem CID3614402
Molecular FormulaC13H19F6NO2
Molecular Weight335.29 g/mol
Exact Mass335.13
IUPAC Name(3,4-dimethylcyclohexyl) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate
SMILESCC1CCC(OC(=O)NC(C)(C(F)(F)F)C(F)(F)F)CC1C
InChIInChI=1S/C13H19F6NO2/c1-7-4-5-9(6-8(7)2)22-10(21)20-11(3,12(14,15)16)13(17,18)19/h7-9H,4-6H2,1-3H3,(H,20,21)
InChIKeyHSYKUCUHSYQGQW-UHFFFAOYSA-N
XLogP4.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclohexyl) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate?
The IUPAC name of (3,4-dimethylcyclohexyl) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate (CID 3614402) is (3,4-dimethylcyclohexyl) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate.
What is the SMILES notation for (3,4-dimethylcyclohexyl) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate?
The canonical SMILES for (3,4-dimethylcyclohexyl) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate is CC1CCC(OC(=O)NC(C)(C(F)(F)F)C(F)(F)F)CC1C.
What is the InChIKey of (3,4-dimethylcyclohexyl) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate?
The InChIKey is HSYKUCUHSYQGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F6NO2/c1-7-4-5-9(6-8(7)2)22-10(21)20-11(3,12(14,15)16)13(17,18)19/h7-9H,4-6H2,1-3H3,(H,20,21).
What are the key properties of (3,4-dimethylcyclohexyl) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate?
(3,4-dimethylcyclohexyl) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate has a molecular weight of 335.29 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate is sourced from PubChem (CID 3614402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).