N-(3-fluoro-3-methylbutyl)-2-(1-hydroxycyclohexyl)-N-methylacetamide

C14H26FNO2 — CID 175987888

IUPACN-(3-fluoro-3-methylbutyl)-2-(1-hydroxycyclohexyl)-N-methylacetamide
SMILESCN(CCC(C)(C)F)C(=O)CC1(O)CCCCC1
InChIInChI=1S/C14H26FNO2/c1-13(2,15)9-10-16(3)12(17)11-14(18)7-5-4-6-8-14/h18H,4-11H2,1-3H3
InChIKeyWZZUSRUGTABYQR-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.67
Rot. Bonds5

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

N-(3-fluoro-3-methylbutyl)-2-(1-hydroxycyclohexyl)-N-methylacetamide (PubChem CID 175987888) has the molecular formula C14H26FNO2 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-(3-fluoro-3-methylbutyl)-2-(1-hydroxycyclohexyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-fluoro-3-methylbutyl)-2-(1-hydroxycyclohexyl)-N-methylacetamide
PubChem CID175987888
Molecular FormulaC14H26FNO2
Molecular Weight259.36 g/mol
Exact Mass259.19
IUPAC NameN-(3-fluoro-3-methylbutyl)-2-(1-hydroxycyclohexyl)-N-methylacetamide
SMILESCN(CCC(C)(C)F)C(=O)CC1(O)CCCCC1
InChIInChI=1S/C14H26FNO2/c1-13(2,15)9-10-16(3)12(17)11-14(18)7-5-4-6-8-14/h18H,4-11H2,1-3H3
InChIKeyWZZUSRUGTABYQR-UHFFFAOYSA-N
XLogP2.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-3-methylbutyl)-2-(1-hydroxycyclohexyl)-N-methylacetamide?
The IUPAC name of N-(3-fluoro-3-methylbutyl)-2-(1-hydroxycyclohexyl)-N-methylacetamide (CID 175987888) is N-(3-fluoro-3-methylbutyl)-2-(1-hydroxycyclohexyl)-N-methylacetamide.
What is the SMILES notation for N-(3-fluoro-3-methylbutyl)-2-(1-hydroxycyclohexyl)-N-methylacetamide?
The canonical SMILES for N-(3-fluoro-3-methylbutyl)-2-(1-hydroxycyclohexyl)-N-methylacetamide is CN(CCC(C)(C)F)C(=O)CC1(O)CCCCC1.
What is the InChIKey of N-(3-fluoro-3-methylbutyl)-2-(1-hydroxycyclohexyl)-N-methylacetamide?
The InChIKey is WZZUSRUGTABYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FNO2/c1-13(2,15)9-10-16(3)12(17)11-14(18)7-5-4-6-8-14/h18H,4-11H2,1-3H3.
What are the key properties of N-(3-fluoro-3-methylbutyl)-2-(1-hydroxycyclohexyl)-N-methylacetamide?
N-(3-fluoro-3-methylbutyl)-2-(1-hydroxycyclohexyl)-N-methylacetamide has a molecular weight of 259.36 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-3-methylbutyl)-2-(1-hydroxycyclohexyl)-N-methylacetamide is sourced from PubChem (CID 175987888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).