2-(4,4-difluoro-1-hydroxycyclohexyl)-N-(3-fluoro-3-methylbutyl)-N-methylacetamide

C14H24F3NO2 — CID 175698725

IUPAC2-(4,4-difluoro-1-hydroxycyclohexyl)-N-(3-fluoro-3-methylbutyl)-N-methylacetamide
SMILESCN(CCC(C)(C)F)C(=O)CC1(O)CCC(F)(F)CC1
InChIInChI=1S/C14H24F3NO2/c1-12(2,15)8-9-18(3)11(19)10-13(20)4-6-14(16,17)7-5-13/h20H,4-10H2,1-3H3
InChIKeyIBJNDROTGYVBCT-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.91
Rot. Bonds5

About 2-(4,4-difluoro-1-hydroxycyclohexyl)-N-(3-fluoro-3-methylbutyl)-N-methylacetamide

2-(4,4-difluoro-1-hydroxycyclohexyl)-N-(3-fluoro-3-methylbutyl)-N-methylacetamide (PubChem CID 175698725) has the molecular formula C14H24F3NO2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(4,4-difluoro-1-hydroxycyclohexyl)-N-(3-fluoro-3-methylbutyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4,4-difluoro-1-hydroxycyclohexyl)-N-(3-fluoro-3-methylbutyl)-N-methylacetamide
PubChem CID175698725
Molecular FormulaC14H24F3NO2
Molecular Weight295.34 g/mol
Exact Mass295.18
IUPAC Name2-(4,4-difluoro-1-hydroxycyclohexyl)-N-(3-fluoro-3-methylbutyl)-N-methylacetamide
SMILESCN(CCC(C)(C)F)C(=O)CC1(O)CCC(F)(F)CC1
InChIInChI=1S/C14H24F3NO2/c1-12(2,15)8-9-18(3)11(19)10-13(20)4-6-14(16,17)7-5-13/h20H,4-10H2,1-3H3
InChIKeyIBJNDROTGYVBCT-UHFFFAOYSA-N
XLogP2.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoro-1-hydroxycyclohexyl)-N-(3-fluoro-3-methylbutyl)-N-methylacetamide?
The IUPAC name of 2-(4,4-difluoro-1-hydroxycyclohexyl)-N-(3-fluoro-3-methylbutyl)-N-methylacetamide (CID 175698725) is 2-(4,4-difluoro-1-hydroxycyclohexyl)-N-(3-fluoro-3-methylbutyl)-N-methylacetamide.
What is the SMILES notation for 2-(4,4-difluoro-1-hydroxycyclohexyl)-N-(3-fluoro-3-methylbutyl)-N-methylacetamide?
The canonical SMILES for 2-(4,4-difluoro-1-hydroxycyclohexyl)-N-(3-fluoro-3-methylbutyl)-N-methylacetamide is CN(CCC(C)(C)F)C(=O)CC1(O)CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluoro-1-hydroxycyclohexyl)-N-(3-fluoro-3-methylbutyl)-N-methylacetamide?
The InChIKey is IBJNDROTGYVBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO2/c1-12(2,15)8-9-18(3)11(19)10-13(20)4-6-14(16,17)7-5-13/h20H,4-10H2,1-3H3.
What are the key properties of 2-(4,4-difluoro-1-hydroxycyclohexyl)-N-(3-fluoro-3-methylbutyl)-N-methylacetamide?
2-(4,4-difluoro-1-hydroxycyclohexyl)-N-(3-fluoro-3-methylbutyl)-N-methylacetamide has a molecular weight of 295.34 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoro-1-hydroxycyclohexyl)-N-(3-fluoro-3-methylbutyl)-N-methylacetamide is sourced from PubChem (CID 175698725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).