2,2,2-trifluoroethyl N-[(1-hydroxy-3-methylcyclohexyl)methyl]carbamate

C11H18F3NO3 — CID 62316231

IUPAC2,2,2-trifluoroethyl N-[(1-hydroxy-3-methylcyclohexyl)methyl]carbamate
SMILESCC1CCCC(O)(CNC(=O)OCC(F)(F)F)C1
InChIInChI=1S/C11H18F3NO3/c1-8-3-2-4-10(17,5-8)6-15-9(16)18-7-11(12,13)14/h8,17H,2-7H2,1H3,(H,15,16)
InChIKeyIJCBYVQZAAMKEY-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.22
Rot. Bonds3

About 2,2,2-trifluoroethyl N-[(1-hydroxy-3-methylcyclohexyl)methyl]carbamate

2,2,2-trifluoroethyl N-[(1-hydroxy-3-methylcyclohexyl)methyl]carbamate (PubChem CID 62316231) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[(1-hydroxy-3-methylcyclohexyl)methyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[(1-hydroxy-3-methylcyclohexyl)methyl]carbamate
PubChem CID62316231
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name2,2,2-trifluoroethyl N-[(1-hydroxy-3-methylcyclohexyl)methyl]carbamate
SMILESCC1CCCC(O)(CNC(=O)OCC(F)(F)F)C1
InChIInChI=1S/C11H18F3NO3/c1-8-3-2-4-10(17,5-8)6-15-9(16)18-7-11(12,13)14/h8,17H,2-7H2,1H3,(H,15,16)
InChIKeyIJCBYVQZAAMKEY-UHFFFAOYSA-N
XLogP2.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[(1-hydroxy-3-methylcyclohexyl)methyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[(1-hydroxy-3-methylcyclohexyl)methyl]carbamate (CID 62316231) is 2,2,2-trifluoroethyl N-[(1-hydroxy-3-methylcyclohexyl)methyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[(1-hydroxy-3-methylcyclohexyl)methyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[(1-hydroxy-3-methylcyclohexyl)methyl]carbamate is CC1CCCC(O)(CNC(=O)OCC(F)(F)F)C1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[(1-hydroxy-3-methylcyclohexyl)methyl]carbamate?
The InChIKey is IJCBYVQZAAMKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-8-3-2-4-10(17,5-8)6-15-9(16)18-7-11(12,13)14/h8,17H,2-7H2,1H3,(H,15,16).
What are the key properties of 2,2,2-trifluoroethyl N-[(1-hydroxy-3-methylcyclohexyl)methyl]carbamate?
2,2,2-trifluoroethyl N-[(1-hydroxy-3-methylcyclohexyl)methyl]carbamate has a molecular weight of 269.26 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[(1-hydroxy-3-methylcyclohexyl)methyl]carbamate is sourced from PubChem (CID 62316231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).