N-[3-[5-[(E)-2-cyclohexylethenyl]furan-2-yl]-3-hydroxypropyl]-2,2,2-trifluoroacetamide

C17H22F3NO3 — CID 86694602

IUPACN-[3-[5-[(E)-2-cyclohexylethenyl]furan-2-yl]-3-hydroxypropyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCCC(O)c1ccc(/C=C/C2CCCCC2)o1)C(F)(F)F
InChIInChI=1S/C17H22F3NO3/c18-17(19,20)16(23)21-11-10-14(22)15-9-8-13(24-15)7-6-12-4-2-1-3-5-12/h6-9,12,14,22H,1-5,10-11H2,(H,21,23)/b7-6+
InChIKeyWOLRROUEXFXIJR-VOTSOKGWSA-N
MW345.36 g/mol
LogP3.98
Rot. Bonds6

About N-[3-[5-[(E)-2-cyclohexylethenyl]furan-2-yl]-3-hydroxypropyl]-2,2,2-trifluoroacetamide

N-[3-[5-[(E)-2-cyclohexylethenyl]furan-2-yl]-3-hydroxypropyl]-2,2,2-trifluoroacetamide (PubChem CID 86694602) has the molecular formula C17H22F3NO3 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-[3-[5-[(E)-2-cyclohexylethenyl]furan-2-yl]-3-hydroxypropyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-[5-[(E)-2-cyclohexylethenyl]furan-2-yl]-3-hydroxypropyl]-2,2,2-trifluoroacetamide
PubChem CID86694602
Molecular FormulaC17H22F3NO3
Molecular Weight345.36 g/mol
Exact Mass345.16
IUPAC NameN-[3-[5-[(E)-2-cyclohexylethenyl]furan-2-yl]-3-hydroxypropyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCCC(O)c1ccc(/C=C/C2CCCCC2)o1)C(F)(F)F
InChIInChI=1S/C17H22F3NO3/c18-17(19,20)16(23)21-11-10-14(22)15-9-8-13(24-15)7-6-12-4-2-1-3-5-12/h6-9,12,14,22H,1-5,10-11H2,(H,21,23)/b7-6+
InChIKeyWOLRROUEXFXIJR-VOTSOKGWSA-N
XLogP3.98
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(E)-2-cyclohexylethenyl]furan-2-yl]-3-hydroxypropyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-[5-[(E)-2-cyclohexylethenyl]furan-2-yl]-3-hydroxypropyl]-2,2,2-trifluoroacetamide (CID 86694602) is N-[3-[5-[(E)-2-cyclohexylethenyl]furan-2-yl]-3-hydroxypropyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-[5-[(E)-2-cyclohexylethenyl]furan-2-yl]-3-hydroxypropyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-[5-[(E)-2-cyclohexylethenyl]furan-2-yl]-3-hydroxypropyl]-2,2,2-trifluoroacetamide is O=C(NCCC(O)c1ccc(/C=C/C2CCCCC2)o1)C(F)(F)F.
What is the InChIKey of N-[3-[5-[(E)-2-cyclohexylethenyl]furan-2-yl]-3-hydroxypropyl]-2,2,2-trifluoroacetamide?
The InChIKey is WOLRROUEXFXIJR-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H22F3NO3/c18-17(19,20)16(23)21-11-10-14(22)15-9-8-13(24-15)7-6-12-4-2-1-3-5-12/h6-9,12,14,22H,1-5,10-11H2,(H,21,23)/b7-6+.
What are the key properties of N-[3-[5-[(E)-2-cyclohexylethenyl]furan-2-yl]-3-hydroxypropyl]-2,2,2-trifluoroacetamide?
N-[3-[5-[(E)-2-cyclohexylethenyl]furan-2-yl]-3-hydroxypropyl]-2,2,2-trifluoroacetamide has a molecular weight of 345.36 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[(E)-2-cyclohexylethenyl]furan-2-yl]-3-hydroxypropyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 86694602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).