3-chloro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide

C11H13ClF3NO2 — CID 62728690

IUPAC3-chloro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(CCl)C(=O)N(Cc1ccco1)CC(F)(F)F
InChIInChI=1S/C11H13ClF3NO2/c1-8(5-12)10(17)16(7-11(13,14)15)6-9-3-2-4-18-9/h2-4,8H,5-7H2,1H3
InChIKeyOYPBWLXJCHYGQL-UHFFFAOYSA-N
MW283.68 g/mol
LogP3.05
Rot. Bonds5

About 3-chloro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide

3-chloro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 62728690) has the molecular formula C11H13ClF3NO2 and a molecular weight of 283.68 g/mol. Its IUPAC name is 3-chloro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID62728690
Molecular FormulaC11H13ClF3NO2
Molecular Weight283.68 g/mol
Exact Mass283.06
IUPAC Name3-chloro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(CCl)C(=O)N(Cc1ccco1)CC(F)(F)F
InChIInChI=1S/C11H13ClF3NO2/c1-8(5-12)10(17)16(7-11(13,14)15)6-9-3-2-4-18-9/h2-4,8H,5-7H2,1H3
InChIKeyOYPBWLXJCHYGQL-UHFFFAOYSA-N
XLogP3.05
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.68
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)propanamide
CID 78874055
4-amino-5-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid
CID 64890856
2-[[ethyl(furan-2-ylmethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263712
2-(2-bromo-4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 55542764
2-amino-3,3,3-trifluoro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 79793559
2-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid
CID 61328447
2,4-dichloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 55523141
5-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625918
N-(furan-2-ylmethyl)-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)benzamide
CID 55452898
2-chloro-N-(3,3-difluoro-2,2-dimethylpentyl)-N-(furan-2-ylmethyl)acetamide
CID 167884453
N-(furan-2-ylmethyl)-4-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 63714473
N-(furan-2-ylmethyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 110019757

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-chloro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (CID 62728690) is 3-chloro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-chloro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-chloro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is CC(CCl)C(=O)N(Cc1ccco1)CC(F)(F)F.
What is the InChIKey of 3-chloro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is OYPBWLXJCHYGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NO2/c1-8(5-12)10(17)16(7-11(13,14)15)6-9-3-2-4-18-9/h2-4,8H,5-7H2,1H3.
What are the key properties of 3-chloro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
3-chloro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 283.68 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 62728690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).