3-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxylic acid

C10H15F3O3 — CID 79428765

IUPAC3-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxylic acid
SMILESCC1CCC(CC(O)C(F)(F)F)(C(=O)O)C1
InChIInChI=1S/C10H15F3O3/c1-6-2-3-9(4-6,8(15)16)5-7(14)10(11,12)13/h6-7,14H,2-5H2,1H3,(H,15,16)
InChIKeyAAZUOEYNAGVPGI-UHFFFAOYSA-N
MW240.22 g/mol
LogP2.19
Rot. Bonds3

About 3-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxylic acid

3-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxylic acid (PubChem CID 79428765) has the molecular formula C10H15F3O3 and a molecular weight of 240.22 g/mol. Its IUPAC name is 3-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxylic acid
PubChem CID79428765
Molecular FormulaC10H15F3O3
Molecular Weight240.22 g/mol
Exact Mass240.10
IUPAC Name3-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxylic acid
SMILESCC1CCC(CC(O)C(F)(F)F)(C(=O)O)C1
InChIInChI=1S/C10H15F3O3/c1-6-2-3-9(4-6,8(15)16)5-7(14)10(11,12)13/h6-7,14H,2-5H2,1H3,(H,15,16)
InChIKeyAAZUOEYNAGVPGI-UHFFFAOYSA-N
XLogP2.19
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxylic acid (CID 79428765) is 3-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxylic acid is CC1CCC(CC(O)C(F)(F)F)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxylic acid?
The InChIKey is AAZUOEYNAGVPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O3/c1-6-2-3-9(4-6,8(15)16)5-7(14)10(11,12)13/h6-7,14H,2-5H2,1H3,(H,15,16).
What are the key properties of 3-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxylic acid?
3-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxylic acid has a molecular weight of 240.22 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79428765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).