7,7,7-trifluoro-3-hydroxy-3-methyl-2-propan-2-ylheptanoic acid

C11H19F3O3 — CID 116536108

IUPAC7,7,7-trifluoro-3-hydroxy-3-methyl-2-propan-2-ylheptanoic acid
SMILESCC(C)C(C(=O)O)C(C)(O)CCCC(F)(F)F
InChIInChI=1S/C11H19F3O3/c1-7(2)8(9(15)16)10(3,17)5-4-6-11(12,13)14/h7-8,17H,4-6H2,1-3H3,(H,15,16)
InChIKeyGAKWVOJSXANTIR-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.83
Rot. Bonds6

About 7,7,7-trifluoro-3-hydroxy-3-methyl-2-propan-2-ylheptanoic acid

7,7,7-trifluoro-3-hydroxy-3-methyl-2-propan-2-ylheptanoic acid (PubChem CID 116536108) has the molecular formula C11H19F3O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 7,7,7-trifluoro-3-hydroxy-3-methyl-2-propan-2-ylheptanoic acid.

Molecular Properties

Compound Name7,7,7-trifluoro-3-hydroxy-3-methyl-2-propan-2-ylheptanoic acid
PubChem CID116536108
Molecular FormulaC11H19F3O3
Molecular Weight256.26 g/mol
Exact Mass256.13
IUPAC Name7,7,7-trifluoro-3-hydroxy-3-methyl-2-propan-2-ylheptanoic acid
SMILESCC(C)C(C(=O)O)C(C)(O)CCCC(F)(F)F
InChIInChI=1S/C11H19F3O3/c1-7(2)8(9(15)16)10(3,17)5-4-6-11(12,13)14/h7-8,17H,4-6H2,1-3H3,(H,15,16)
InChIKeyGAKWVOJSXANTIR-UHFFFAOYSA-N
XLogP2.83
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-6,6,6-trifluorohexanoic acid
CID 83137658
3,3-dihydroxy-2-propan-2-ylbutanoic acid
CID 57172811
2,2,7,7,7-pentafluoro-3-hydroxy-3-methylheptanoic acid
CID 116536109
2-(4,4,4-trifluorobutylsulfonyl)propanoic acid
CID 90810878
8,8,8-trifluoro-4-hydroxy-4-methyloctanoic acid
CID 116536112
2-(4,4,4-trifluorobutylsulfinyl)propanoic acid
CID 115517790
3,3-dimethyl-2-(5,5,5-trifluoropentylcarbamoyl)butanoic acid
CID 116537377
3,3-dimethyl-2-(7,7,7-trifluoroheptylsulfanyl)butanoic acid
CID 87340857
2-(4,4,4-trifluorobutylsulfamoyl)propanoic acid
CID 115515843
7,7,7-trifluoro-2-propylheptanoic acid
CID 15512433
7,7,7-trifluoro-3-propan-2-ylheptan-2-one
CID 115514587
2-(butan-2-ylamino)-6,6,6-trifluoro-2-methylhexanoic acid
CID 116535586

Frequently Asked Questions

What is the IUPAC name of 7,7,7-trifluoro-3-hydroxy-3-methyl-2-propan-2-ylheptanoic acid?
The IUPAC name of 7,7,7-trifluoro-3-hydroxy-3-methyl-2-propan-2-ylheptanoic acid (CID 116536108) is 7,7,7-trifluoro-3-hydroxy-3-methyl-2-propan-2-ylheptanoic acid.
What is the SMILES notation for 7,7,7-trifluoro-3-hydroxy-3-methyl-2-propan-2-ylheptanoic acid?
The canonical SMILES for 7,7,7-trifluoro-3-hydroxy-3-methyl-2-propan-2-ylheptanoic acid is CC(C)C(C(=O)O)C(C)(O)CCCC(F)(F)F.
What is the InChIKey of 7,7,7-trifluoro-3-hydroxy-3-methyl-2-propan-2-ylheptanoic acid?
The InChIKey is GAKWVOJSXANTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3O3/c1-7(2)8(9(15)16)10(3,17)5-4-6-11(12,13)14/h7-8,17H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 7,7,7-trifluoro-3-hydroxy-3-methyl-2-propan-2-ylheptanoic acid?
7,7,7-trifluoro-3-hydroxy-3-methyl-2-propan-2-ylheptanoic acid has a molecular weight of 256.26 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-3-hydroxy-3-methyl-2-propan-2-ylheptanoic acid is sourced from PubChem (CID 116536108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).