N-[[4-(cyclohexen-1-yl)-3-(trifluoromethyl)phenyl]methoxy]acetamide

C16H18F3NO2 — CID 175554913

IUPACN-[[4-(cyclohexen-1-yl)-3-(trifluoromethyl)phenyl]methoxy]acetamide
SMILESCC(=O)NOCc1ccc(C2=CCCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C16H18F3NO2/c1-11(21)20-22-10-12-7-8-14(13-5-3-2-4-6-13)15(9-12)16(17,18)19/h5,7-9H,2-4,6,10H2,1H3,(H,20,21)
InChIKeySKLZORJHUIJOML-UHFFFAOYSA-N
MW313.32 g/mol
LogP4.23
Rot. Bonds4

About N-[[4-(cyclohexen-1-yl)-3-(trifluoromethyl)phenyl]methoxy]acetamide

N-[[4-(cyclohexen-1-yl)-3-(trifluoromethyl)phenyl]methoxy]acetamide (PubChem CID 175554913) has the molecular formula C16H18F3NO2 and a molecular weight of 313.32 g/mol. Its IUPAC name is N-[[4-(cyclohexen-1-yl)-3-(trifluoromethyl)phenyl]methoxy]acetamide.

Molecular Properties

Compound NameN-[[4-(cyclohexen-1-yl)-3-(trifluoromethyl)phenyl]methoxy]acetamide
PubChem CID175554913
Molecular FormulaC16H18F3NO2
Molecular Weight313.32 g/mol
Exact Mass313.13
IUPAC NameN-[[4-(cyclohexen-1-yl)-3-(trifluoromethyl)phenyl]methoxy]acetamide
SMILESCC(=O)NOCc1ccc(C2=CCCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C16H18F3NO2/c1-11(21)20-22-10-12-7-8-14(13-5-3-2-4-6-13)15(9-12)16(17,18)19/h5,7-9H,2-4,6,10H2,1H3,(H,20,21)
InChIKeySKLZORJHUIJOML-UHFFFAOYSA-N
XLogP4.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclohexen-1-yl)-3-(trifluoromethyl)phenyl]methoxy]acetamide?
The IUPAC name of N-[[4-(cyclohexen-1-yl)-3-(trifluoromethyl)phenyl]methoxy]acetamide (CID 175554913) is N-[[4-(cyclohexen-1-yl)-3-(trifluoromethyl)phenyl]methoxy]acetamide.
What is the SMILES notation for N-[[4-(cyclohexen-1-yl)-3-(trifluoromethyl)phenyl]methoxy]acetamide?
The canonical SMILES for N-[[4-(cyclohexen-1-yl)-3-(trifluoromethyl)phenyl]methoxy]acetamide is CC(=O)NOCc1ccc(C2=CCCCC2)c(C(F)(F)F)c1.
What is the InChIKey of N-[[4-(cyclohexen-1-yl)-3-(trifluoromethyl)phenyl]methoxy]acetamide?
The InChIKey is SKLZORJHUIJOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO2/c1-11(21)20-22-10-12-7-8-14(13-5-3-2-4-6-13)15(9-12)16(17,18)19/h5,7-9H,2-4,6,10H2,1H3,(H,20,21).
What are the key properties of N-[[4-(cyclohexen-1-yl)-3-(trifluoromethyl)phenyl]methoxy]acetamide?
N-[[4-(cyclohexen-1-yl)-3-(trifluoromethyl)phenyl]methoxy]acetamide has a molecular weight of 313.32 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclohexen-1-yl)-3-(trifluoromethyl)phenyl]methoxy]acetamide is sourced from PubChem (CID 175554913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).