2-(butan-2-ylamino)-6,6,6-trifluoro-2-methylhexanoic acid

C11H20F3NO2 — CID 116535586

IUPAC2-(butan-2-ylamino)-6,6,6-trifluoro-2-methylhexanoic acid
SMILESCCC(C)NC(C)(CCCC(F)(F)F)C(=O)O
InChIInChI=1S/C11H20F3NO2/c1-4-8(2)15-10(3,9(16)17)6-5-7-11(12,13)14/h8,15H,4-7H2,1-3H3,(H,16,17)
InChIKeyQFCPGUPBCDAJPB-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.95
Rot. Bonds7

About 2-(butan-2-ylamino)-6,6,6-trifluoro-2-methylhexanoic acid

2-(butan-2-ylamino)-6,6,6-trifluoro-2-methylhexanoic acid (PubChem CID 116535586) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-6,6,6-trifluoro-2-methylhexanoic acid.

Molecular Properties

Compound Name2-(butan-2-ylamino)-6,6,6-trifluoro-2-methylhexanoic acid
PubChem CID116535586
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name2-(butan-2-ylamino)-6,6,6-trifluoro-2-methylhexanoic acid
SMILESCCC(C)NC(C)(CCCC(F)(F)F)C(=O)O
InChIInChI=1S/C11H20F3NO2/c1-4-8(2)15-10(3,9(16)17)6-5-7-11(12,13)14/h8,15H,4-7H2,1-3H3,(H,16,17)
InChIKeyQFCPGUPBCDAJPB-UHFFFAOYSA-N
XLogP2.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butan-2-ylamino)-2-methyl-3-sulfanylpropanoic acid;dihydrochloride
CID 174469242
2-methyl-2-(propan-2-ylamino)-6-(4,4,4-trifluorobutoxy)hexanoic acid
CID 82783636
6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanamide
CID 116535472
methyl 2-(butan-2-ylamino)-2-methylheptanoate
CID 80557745
2-(butan-2-ylamino)-4-(4-methoxyphenyl)-2-methylbutanoic acid
CID 61024807
ethyl 2-(butan-2-ylamino)-2-methylheptanoate
CID 80557803
2-methyl-2-(3-methylbutan-2-ylamino)octanoic acid
CID 114994118
2-methyl-2-(methylamino)-5-(4,4,4-trifluorobutoxy)pentanoic acid
CID 82793311
4-(butan-2-ylamino)-4-methylpentanoic acid
CID 79695269
2-methyl-2-(propylamino)-6-(4,4,4-trifluorobutoxy)hexanoic acid
CID 82783635
2-methyl-5-(2,2,3,3,3-pentafluoropropoxy)-2-(propan-2-ylamino)pentanoic acid
CID 103725386
2,2,7,7,7-pentafluoro-3-hydroxy-3-methylheptanoic acid
CID 116536109

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-6,6,6-trifluoro-2-methylhexanoic acid?
The IUPAC name of 2-(butan-2-ylamino)-6,6,6-trifluoro-2-methylhexanoic acid (CID 116535586) is 2-(butan-2-ylamino)-6,6,6-trifluoro-2-methylhexanoic acid.
What is the SMILES notation for 2-(butan-2-ylamino)-6,6,6-trifluoro-2-methylhexanoic acid?
The canonical SMILES for 2-(butan-2-ylamino)-6,6,6-trifluoro-2-methylhexanoic acid is CCC(C)NC(C)(CCCC(F)(F)F)C(=O)O.
What is the InChIKey of 2-(butan-2-ylamino)-6,6,6-trifluoro-2-methylhexanoic acid?
The InChIKey is QFCPGUPBCDAJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-4-8(2)15-10(3,9(16)17)6-5-7-11(12,13)14/h8,15H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 2-(butan-2-ylamino)-6,6,6-trifluoro-2-methylhexanoic acid?
2-(butan-2-ylamino)-6,6,6-trifluoro-2-methylhexanoic acid has a molecular weight of 255.28 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-6,6,6-trifluoro-2-methylhexanoic acid is sourced from PubChem (CID 116535586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).