2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butanamide

C10H18F3NO2 — CID 86930577

IUPAC2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butanamide
SMILESCCC(C)C(=O)NCCCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-3-8(2)9(15)14-5-4-6-16-7-10(11,12)13/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeyGSRJYZFDXJYQPQ-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.12
Rot. Bonds7

About 2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butanamide

2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butanamide (PubChem CID 86930577) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butanamide
PubChem CID86930577
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butanamide
SMILESCCC(C)C(=O)NCCCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-3-8(2)9(15)14-5-4-6-16-7-10(11,12)13/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeyGSRJYZFDXJYQPQ-UHFFFAOYSA-N
XLogP2.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Propanoic acid, 3-amino-2-methyl, butyl ester, TFA
CID 527837
But-2-yl N-trifluoroacetyl-2-ethyl-3-aminopropanoate
CID 558027
3-[(2,2,2-Trifluoroacetyl)amino]propyl 2-methylpropanoate
CID 22089109
3-methyl-N-(3,3,3-trifluoropropyl)butanamide
CID 89343790
N-(2,2-difluorobutyl)-2-methylbutanamide
CID 89412027
N-(2,2-difluoro-3-hydroxypropyl)-3-methylbutanamide
CID 104858123
4,4,4-trifluoro-N-isobutyl-2-methylbutanamide
CID 117927436
N-(2,2-difluoropropyl)-2-methylbutanamide
CID 129227019
N-(3-ethoxy-3-methylbutyl)-2-fluoro-3-methyl-2-(trifluoromethyl)butanamide
CID 132179940
N-[3-(3-amino-2,2-difluoropropoxy)propyl]propanamide
CID 145401045
N-(3,3-difluoropropyl)-3-methylbutanamide
CID 147459188
N-[2-fluoro-3-(2-propoxyethoxy)butyl]-2-methylpropanamide
CID 147462838

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butanamide?
The IUPAC name of 2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butanamide (CID 86930577) is 2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butanamide.
What is the SMILES notation for 2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butanamide?
The canonical SMILES for 2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butanamide is CCC(C)C(=O)NCCCOCC(F)(F)F.
What is the InChIKey of 2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butanamide?
The InChIKey is GSRJYZFDXJYQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-3-8(2)9(15)14-5-4-6-16-7-10(11,12)13/h8H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butanamide?
2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butanamide has a molecular weight of 241.25 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butanamide is sourced from PubChem (CID 86930577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).