N-(2-fluoro-2-methylpropyl)-2-(1-hydroxycyclohexyl)-N-methylacetamide

C13H24FNO2 — CID 175786316

IUPACN-(2-fluoro-2-methylpropyl)-2-(1-hydroxycyclohexyl)-N-methylacetamide
SMILESCN(CC(C)(C)F)C(=O)CC1(O)CCCCC1
InChIInChI=1S/C13H24FNO2/c1-12(2,14)10-15(3)11(16)9-13(17)7-5-4-6-8-13/h17H,4-10H2,1-3H3
InChIKeyMTOKJMFOSYXPBW-UHFFFAOYSA-N
MW245.34 g/mol
LogP2.28
Rot. Bonds4

About N-(2-fluoro-2-methylpropyl)-2-(1-hydroxycyclohexyl)-N-methylacetamide

N-(2-fluoro-2-methylpropyl)-2-(1-hydroxycyclohexyl)-N-methylacetamide (PubChem CID 175786316) has the molecular formula C13H24FNO2 and a molecular weight of 245.34 g/mol. Its IUPAC name is N-(2-fluoro-2-methylpropyl)-2-(1-hydroxycyclohexyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-fluoro-2-methylpropyl)-2-(1-hydroxycyclohexyl)-N-methylacetamide
PubChem CID175786316
Molecular FormulaC13H24FNO2
Molecular Weight245.34 g/mol
Exact Mass245.18
IUPAC NameN-(2-fluoro-2-methylpropyl)-2-(1-hydroxycyclohexyl)-N-methylacetamide
SMILESCN(CC(C)(C)F)C(=O)CC1(O)CCCCC1
InChIInChI=1S/C13H24FNO2/c1-12(2,14)10-15(3)11(16)9-13(17)7-5-4-6-8-13/h17H,4-10H2,1-3H3
InChIKeyMTOKJMFOSYXPBW-UHFFFAOYSA-N
XLogP2.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-2-methylpropyl)-2-(1-hydroxycyclohexyl)-N-methylacetamide?
The IUPAC name of N-(2-fluoro-2-methylpropyl)-2-(1-hydroxycyclohexyl)-N-methylacetamide (CID 175786316) is N-(2-fluoro-2-methylpropyl)-2-(1-hydroxycyclohexyl)-N-methylacetamide.
What is the SMILES notation for N-(2-fluoro-2-methylpropyl)-2-(1-hydroxycyclohexyl)-N-methylacetamide?
The canonical SMILES for N-(2-fluoro-2-methylpropyl)-2-(1-hydroxycyclohexyl)-N-methylacetamide is CN(CC(C)(C)F)C(=O)CC1(O)CCCCC1.
What is the InChIKey of N-(2-fluoro-2-methylpropyl)-2-(1-hydroxycyclohexyl)-N-methylacetamide?
The InChIKey is MTOKJMFOSYXPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO2/c1-12(2,14)10-15(3)11(16)9-13(17)7-5-4-6-8-13/h17H,4-10H2,1-3H3.
What are the key properties of N-(2-fluoro-2-methylpropyl)-2-(1-hydroxycyclohexyl)-N-methylacetamide?
N-(2-fluoro-2-methylpropyl)-2-(1-hydroxycyclohexyl)-N-methylacetamide has a molecular weight of 245.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-2-methylpropyl)-2-(1-hydroxycyclohexyl)-N-methylacetamide is sourced from PubChem (CID 175786316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).