7,7,7-trifluoro-2-propylheptanoic acid

C10H17F3O2 — CID 15512433

IUPAC7,7,7-trifluoro-2-propylheptanoic acid
SMILESCCCC(CCCCC(F)(F)F)C(=O)O
InChIInChI=1S/C10H17F3O2/c1-2-5-8(9(14)15)6-3-4-7-10(11,12)13/h8H,2-7H2,1H3,(H,14,15)
InChIKeyHVRBMNZIIBRZON-UHFFFAOYSA-N
MW226.24 g/mol
LogP3.61
Rot. Bonds7

About 7,7,7-trifluoro-2-propylheptanoic acid

7,7,7-trifluoro-2-propylheptanoic acid (PubChem CID 15512433) has the molecular formula C10H17F3O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 7,7,7-trifluoro-2-propylheptanoic acid.

Molecular Properties

Compound Name7,7,7-trifluoro-2-propylheptanoic acid
PubChem CID15512433
Molecular FormulaC10H17F3O2
Molecular Weight226.24 g/mol
Exact Mass226.12
IUPAC Name7,7,7-trifluoro-2-propylheptanoic acid
SMILESCCCC(CCCCC(F)(F)F)C(=O)O
InChIInChI=1S/C10H17F3O2/c1-2-5-8(9(14)15)6-3-4-7-10(11,12)13/h8H,2-7H2,1H3,(H,14,15)
InChIKeyHVRBMNZIIBRZON-UHFFFAOYSA-N
XLogP3.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 53.61
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

8,8,8-trifluoro-2-propyloctanoic acid
CID 15512431
CID 10177012
CID 10177012
2-propylhexadecanoic acid
CID 10040360
2-propylheptadecanoic acid
CID 22251985
2-[(6,6,6-trifluoro-2-propylhexanoyl)amino]propanoic acid
CID 56985271
λ2-stannane;2-propylhexanoic acid
CID 174232814
phosphane;2-propylhexanoic acid
CID 87429538
10,10-dihexyl-2-tetradecylhexadecanoic acid
CID 141275600
calcium;sodium;hydride;2-propylpentanoic acid
CID 174695828
2-butylheptacosanoic acid;2,2,2-trifluoroacetic acid
CID 175747417
2-ethyl-6-propylheptanedioic acid
CID 154140899
2-[2-(4,4-difluoropentylsulfanyl)ethyl]pentanoic acid
CID 160906392

Frequently Asked Questions

What is the IUPAC name of 7,7,7-trifluoro-2-propylheptanoic acid?
The IUPAC name of 7,7,7-trifluoro-2-propylheptanoic acid (CID 15512433) is 7,7,7-trifluoro-2-propylheptanoic acid.
What is the SMILES notation for 7,7,7-trifluoro-2-propylheptanoic acid?
The canonical SMILES for 7,7,7-trifluoro-2-propylheptanoic acid is CCCC(CCCCC(F)(F)F)C(=O)O.
What is the InChIKey of 7,7,7-trifluoro-2-propylheptanoic acid?
The InChIKey is HVRBMNZIIBRZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O2/c1-2-5-8(9(14)15)6-3-4-7-10(11,12)13/h8H,2-7H2,1H3,(H,14,15).
What are the key properties of 7,7,7-trifluoro-2-propylheptanoic acid?
7,7,7-trifluoro-2-propylheptanoic acid has a molecular weight of 226.24 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-2-propylheptanoic acid is sourced from PubChem (CID 15512433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).