N-cyclohexyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide

C14H18F3NO3 — CID 893108

IUPACN-cyclohexyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(COCC(F)(F)F)o1
InChIInChI=1S/C14H18F3NO3/c15-14(16,17)9-20-8-11-6-7-12(21-11)13(19)18-10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2,(H,18,19)
InChIKeyHLZVOVNCWRHWSC-UHFFFAOYSA-N
MW305.30 g/mol
LogP3.42
Rot. Bonds5

About N-cyclohexyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide

N-cyclohexyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide (PubChem CID 893108) has the molecular formula C14H18F3NO3 and a molecular weight of 305.30 g/mol. Its IUPAC name is N-cyclohexyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide
PubChem CID893108
Molecular FormulaC14H18F3NO3
Molecular Weight305.30 g/mol
Exact Mass305.12
IUPAC NameN-cyclohexyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(COCC(F)(F)F)o1
InChIInChI=1S/C14H18F3NO3/c15-14(16,17)9-20-8-11-6-7-12(21-11)13(19)18-10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2,(H,18,19)
InChIKeyHLZVOVNCWRHWSC-UHFFFAOYSA-N
XLogP3.42
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

n-(2-Furylmethyl)-2-phenoxyacetamide
CID 240163
Pyrrolidin-1-yl-[5-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methanone
CID 756940
5-[(4-ethoxyphenoxy)methyl]-N-isopropyl-2-furamide
CID 892168
5-[(4-tert-butylphenoxy)methyl]-N-isopropyl-2-furamide
CID 892519
5-[(2-methoxyphenoxy)methyl]-N-(1-phenylethyl)-2-furamide
CID 2942268
5-(Hydroxymethyl-2-furoyl)glycine
CID 6537488
5-[(4-methylphenoxy)methyl]-N-propyl-2-furamide
CID 2200397
N-(2-methylcyclohexyl)-2-furamide
CID 2787939
N-(2-oxo-3-azepanyl)-2-furamide
CID 2813196
N-(oxolan-2-ylmethyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 24980461
N-[2-(2-methoxyphenoxy)ethyl]-5-methylfuran-2-carboxamide
CID 24980889
5-(2,2,2-Trifluoro-ethoxymethyl)-furan-2-carboxylic acid 4-chloro-benzylamide
CID 647424

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide?
The IUPAC name of N-cyclohexyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide (CID 893108) is N-cyclohexyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-cyclohexyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide is O=C(NC1CCCCC1)c1ccc(COCC(F)(F)F)o1.
What is the InChIKey of N-cyclohexyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide?
The InChIKey is HLZVOVNCWRHWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO3/c15-14(16,17)9-20-8-11-6-7-12(21-11)13(19)18-10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2,(H,18,19).
What are the key properties of N-cyclohexyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide?
N-cyclohexyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide has a molecular weight of 305.30 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 893108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).