2,2,2-trifluoro-N-(5-methylheptyl)acetamide

C10H18F3NO — CID 143979183

IUPAC2,2,2-trifluoro-N-(5-methylheptyl)acetamide
SMILESCCC(C)CCCCNC(=O)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-3-8(2)6-4-5-7-14-9(15)10(11,12)13/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeyILVUSIKKCDIPLN-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.88
Rot. Bonds6

About 2,2,2-trifluoro-N-(5-methylheptyl)acetamide

2,2,2-trifluoro-N-(5-methylheptyl)acetamide (PubChem CID 143979183) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(5-methylheptyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(5-methylheptyl)acetamide
PubChem CID143979183
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name2,2,2-trifluoro-N-(5-methylheptyl)acetamide
SMILESCCC(C)CCCCNC(=O)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-3-8(2)6-4-5-7-14-9(15)10(11,12)13/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeyILVUSIKKCDIPLN-UHFFFAOYSA-N
XLogP2.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-(7-methyloctyl)acetamide
CID 62491646
3-hydroxy-2-methyl-N-(5-methylheptyl)propanamide
CID 166773435
2,2,2-trifluoro-N-icosylacetamide
CID 91692791
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696
3-methyl-N-(5-methylheptyl)pentanamide
CID 177365994
2,2,2-trifluoro-N-[7-[4-[(2,2,2-trifluoroacetyl)amino]butyl]-11-(undecylamino)undecyl]acetamide
CID 139942199
2,2,2-trifluoro-N-[9-[7-(octylamino)heptyl]-16-[(2,2,2-trifluoroacetyl)amino]hexadecyl]acetamide
CID 139942216
propan-2-yl N-(5-methylheptyl)carbamate
CID 129015381
4-methylhexylurea
CID 59582725
2,2,2-trifluoro-N-(3-formamidopropyl)acetamide
CID 110461270
N-(4-ethoxybutyl)-2,2,2-trifluoroacetamide
CID 130756999
(2S)-2,6-bis[(2,2,2-trifluoroacetyl)amino]hexanoyl chloride
CID 89001692

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(5-methylheptyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(5-methylheptyl)acetamide (CID 143979183) is 2,2,2-trifluoro-N-(5-methylheptyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(5-methylheptyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(5-methylheptyl)acetamide is CCC(C)CCCCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(5-methylheptyl)acetamide?
The InChIKey is ILVUSIKKCDIPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-3-8(2)6-4-5-7-14-9(15)10(11,12)13/h8H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 2,2,2-trifluoro-N-(5-methylheptyl)acetamide?
2,2,2-trifluoro-N-(5-methylheptyl)acetamide has a molecular weight of 225.25 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(5-methylheptyl)acetamide is sourced from PubChem (CID 143979183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).