[(1R,2R)-2-methylcyclohexyl] N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate

C11H15F6NO2 — CID 750114

IUPAC[(1R,2R)-2-methylcyclohexyl] N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
SMILESC[C@@H]1CCCC[C@H]1OC(=O)NC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H15F6NO2/c1-6-4-2-3-5-7(6)20-9(19)18-8(10(12,13)14)11(15,16)17/h6-8H,2-5H2,1H3,(H,18,19)/t6-,7-/m1/s1
InChIKeyVRHUGIBBUSYLNG-RNFRBKRXSA-N
MW307.23 g/mol
LogP3.78
Rot. Bonds2

About [(1R,2R)-2-methylcyclohexyl] N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate

[(1R,2R)-2-methylcyclohexyl] N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate (PubChem CID 750114) has the molecular formula C11H15F6NO2 and a molecular weight of 307.23 g/mol. Its IUPAC name is [(1R,2R)-2-methylcyclohexyl] N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate.

Molecular Properties

Compound Name[(1R,2R)-2-methylcyclohexyl] N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
PubChem CID750114
Molecular FormulaC11H15F6NO2
Molecular Weight307.23 g/mol
Exact Mass307.10
IUPAC Name[(1R,2R)-2-methylcyclohexyl] N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
SMILESC[C@@H]1CCCC[C@H]1OC(=O)NC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H15F6NO2/c1-6-4-2-3-5-7(6)20-9(19)18-8(10(12,13)14)11(15,16)17/h6-8H,2-5H2,1H3,(H,18,19)/t6-,7-/m1/s1
InChIKeyVRHUGIBBUSYLNG-RNFRBKRXSA-N
XLogP3.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-methylcyclohexyl] N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate?
The IUPAC name of [(1R,2R)-2-methylcyclohexyl] N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate (CID 750114) is [(1R,2R)-2-methylcyclohexyl] N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate.
What is the SMILES notation for [(1R,2R)-2-methylcyclohexyl] N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate?
The canonical SMILES for [(1R,2R)-2-methylcyclohexyl] N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate is C[C@@H]1CCCC[C@H]1OC(=O)NC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [(1R,2R)-2-methylcyclohexyl] N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate?
The InChIKey is VRHUGIBBUSYLNG-RNFRBKRXSA-N. The full InChI is InChI=1S/C11H15F6NO2/c1-6-4-2-3-5-7(6)20-9(19)18-8(10(12,13)14)11(15,16)17/h6-8H,2-5H2,1H3,(H,18,19)/t6-,7-/m1/s1.
What are the key properties of [(1R,2R)-2-methylcyclohexyl] N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate?
[(1R,2R)-2-methylcyclohexyl] N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate has a molecular weight of 307.23 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-methylcyclohexyl] N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate is sourced from PubChem (CID 750114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).