fluoromethyl N-[(5-acetamido-1,3,3-trimethylcyclohexyl)methyl]carbamate

C14H25FN2O3 — CID 59736335

IUPACfluoromethyl N-[(5-acetamido-1,3,3-trimethylcyclohexyl)methyl]carbamate
SMILESCC(=O)NC1CC(C)(C)CC(C)(CNC(=O)OCF)C1
InChIInChI=1S/C14H25FN2O3/c1-10(18)17-11-5-13(2,3)7-14(4,6-11)8-16-12(19)20-9-15/h11H,5-9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyFEJQACLAGLATDH-UHFFFAOYSA-N
MW288.36 g/mol
LogP2.36
Rot. Bonds4

About fluoromethyl N-[(5-acetamido-1,3,3-trimethylcyclohexyl)methyl]carbamate

fluoromethyl N-[(5-acetamido-1,3,3-trimethylcyclohexyl)methyl]carbamate (PubChem CID 59736335) has the molecular formula C14H25FN2O3 and a molecular weight of 288.36 g/mol. Its IUPAC name is fluoromethyl N-[(5-acetamido-1,3,3-trimethylcyclohexyl)methyl]carbamate.

Molecular Properties

Compound Namefluoromethyl N-[(5-acetamido-1,3,3-trimethylcyclohexyl)methyl]carbamate
PubChem CID59736335
Molecular FormulaC14H25FN2O3
Molecular Weight288.36 g/mol
Exact Mass288.18
IUPAC Namefluoromethyl N-[(5-acetamido-1,3,3-trimethylcyclohexyl)methyl]carbamate
SMILESCC(=O)NC1CC(C)(C)CC(C)(CNC(=O)OCF)C1
InChIInChI=1S/C14H25FN2O3/c1-10(18)17-11-5-13(2,3)7-14(4,6-11)8-16-12(19)20-9-15/h11H,5-9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyFEJQACLAGLATDH-UHFFFAOYSA-N
XLogP2.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of fluoromethyl N-[(5-acetamido-1,3,3-trimethylcyclohexyl)methyl]carbamate?
The IUPAC name of fluoromethyl N-[(5-acetamido-1,3,3-trimethylcyclohexyl)methyl]carbamate (CID 59736335) is fluoromethyl N-[(5-acetamido-1,3,3-trimethylcyclohexyl)methyl]carbamate.
What is the SMILES notation for fluoromethyl N-[(5-acetamido-1,3,3-trimethylcyclohexyl)methyl]carbamate?
The canonical SMILES for fluoromethyl N-[(5-acetamido-1,3,3-trimethylcyclohexyl)methyl]carbamate is CC(=O)NC1CC(C)(C)CC(C)(CNC(=O)OCF)C1.
What is the InChIKey of fluoromethyl N-[(5-acetamido-1,3,3-trimethylcyclohexyl)methyl]carbamate?
The InChIKey is FEJQACLAGLATDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN2O3/c1-10(18)17-11-5-13(2,3)7-14(4,6-11)8-16-12(19)20-9-15/h11H,5-9H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of fluoromethyl N-[(5-acetamido-1,3,3-trimethylcyclohexyl)methyl]carbamate?
fluoromethyl N-[(5-acetamido-1,3,3-trimethylcyclohexyl)methyl]carbamate has a molecular weight of 288.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethyl N-[(5-acetamido-1,3,3-trimethylcyclohexyl)methyl]carbamate is sourced from PubChem (CID 59736335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).