6,6,6-trifluoro-2-(3-fluoro-5-methylanilino)-2-methylhexanamide

C14H18F4N2O — CID 116535507

IUPAC6,6,6-trifluoro-2-(3-fluoro-5-methylanilino)-2-methylhexanamide
SMILESCc1cc(F)cc(NC(C)(CCCC(F)(F)F)C(N)=O)c1
InChIInChI=1S/C14H18F4N2O/c1-9-6-10(15)8-11(7-9)20-13(2,12(19)21)4-3-5-14(16,17)18/h6-8,20H,3-5H2,1-2H3,(H2,19,21)
InChIKeyDNEMZMYSJMKMIP-UHFFFAOYSA-N
MW306.30 g/mol
LogP3.52
Rot. Bonds6

About 6,6,6-trifluoro-2-(3-fluoro-5-methylanilino)-2-methylhexanamide

6,6,6-trifluoro-2-(3-fluoro-5-methylanilino)-2-methylhexanamide (PubChem CID 116535507) has the molecular formula C14H18F4N2O and a molecular weight of 306.30 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-(3-fluoro-5-methylanilino)-2-methylhexanamide.

Molecular Properties

Compound Name6,6,6-trifluoro-2-(3-fluoro-5-methylanilino)-2-methylhexanamide
PubChem CID116535507
Molecular FormulaC14H18F4N2O
Molecular Weight306.30 g/mol
Exact Mass306.14
IUPAC Name6,6,6-trifluoro-2-(3-fluoro-5-methylanilino)-2-methylhexanamide
SMILESCc1cc(F)cc(NC(C)(CCCC(F)(F)F)C(N)=O)c1
InChIInChI=1S/C14H18F4N2O/c1-9-6-10(15)8-11(7-9)20-13(2,12(19)21)4-3-5-14(16,17)18/h6-8,20H,3-5H2,1-2H3,(H2,19,21)
InChIKeyDNEMZMYSJMKMIP-UHFFFAOYSA-N
XLogP3.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoro-5-methylanilino)-2-methylnonanamide
CID 79044705
3-cyclopropyl-2-(3-fluoro-5-methylanilino)-2-methylpropanamide
CID 113490089
3-fluoro-5-methyl-N-(4,4,4-trifluorobutyl)aniline
CID 115513789
2-(2-bromoanilino)-6,6,6-trifluoro-2-methylhexanamide
CID 116535475
methyl 6,6,6-trifluoro-2-methyl-2-(3-methylanilino)hexanoate
CID 116535546
methyl 6,6,6-trifluoro-2-methyl-2-(4-methylanilino)hexanoate
CID 116535531
2-ethyl-2-(3-fluoro-5-methylanilino)-3-methylbutanamide
CID 79055465
2-(3-fluoro-5-methylanilino)-2-methyl-3-phenylpropanoic acid
CID 79044451
6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanamide
CID 116535472
2-ethyl-2-(3-fluoro-5-methylanilino)hexanoic acid
CID 79050285
methyl 2-(3-fluoro-5-methylanilino)-2-propylpentanoate
CID 79049647
4-(3-fluoro-5-methylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 79049505

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-(3-fluoro-5-methylanilino)-2-methylhexanamide?
The IUPAC name of 6,6,6-trifluoro-2-(3-fluoro-5-methylanilino)-2-methylhexanamide (CID 116535507) is 6,6,6-trifluoro-2-(3-fluoro-5-methylanilino)-2-methylhexanamide.
What is the SMILES notation for 6,6,6-trifluoro-2-(3-fluoro-5-methylanilino)-2-methylhexanamide?
The canonical SMILES for 6,6,6-trifluoro-2-(3-fluoro-5-methylanilino)-2-methylhexanamide is Cc1cc(F)cc(NC(C)(CCCC(F)(F)F)C(N)=O)c1.
What is the InChIKey of 6,6,6-trifluoro-2-(3-fluoro-5-methylanilino)-2-methylhexanamide?
The InChIKey is DNEMZMYSJMKMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N2O/c1-9-6-10(15)8-11(7-9)20-13(2,12(19)21)4-3-5-14(16,17)18/h6-8,20H,3-5H2,1-2H3,(H2,19,21).
What are the key properties of 6,6,6-trifluoro-2-(3-fluoro-5-methylanilino)-2-methylhexanamide?
6,6,6-trifluoro-2-(3-fluoro-5-methylanilino)-2-methylhexanamide has a molecular weight of 306.30 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-(3-fluoro-5-methylanilino)-2-methylhexanamide is sourced from PubChem (CID 116535507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).