2-hydroxy-2-(trifluoromethyl)spiro[3.3]heptane-6-carboxylic acid

C9H11F3O3 — CID 155820064

IUPAC2-hydroxy-2-(trifluoromethyl)spiro[3.3]heptane-6-carboxylic acid
SMILESO=C(O)C1CC2(C1)CC(O)(C(F)(F)F)C2
InChIInChI=1S/C9H11F3O3/c10-9(11,12)8(15)3-7(4-8)1-5(2-7)6(13)14/h5,15H,1-4H2,(H,13,14)
InChIKeyYEGLRCAXGDJHGJ-UHFFFAOYSA-N
MW224.18 g/mol
LogP1.55
Rot. Bonds1

About 2-hydroxy-2-(trifluoromethyl)spiro[3.3]heptane-6-carboxylic acid

2-hydroxy-2-(trifluoromethyl)spiro[3.3]heptane-6-carboxylic acid (PubChem CID 155820064) has the molecular formula C9H11F3O3 and a molecular weight of 224.18 g/mol. Its IUPAC name is 2-hydroxy-2-(trifluoromethyl)spiro[3.3]heptane-6-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-2-(trifluoromethyl)spiro[3.3]heptane-6-carboxylic acid
PubChem CID155820064
Molecular FormulaC9H11F3O3
Molecular Weight224.18 g/mol
Exact Mass224.07
IUPAC Name2-hydroxy-2-(trifluoromethyl)spiro[3.3]heptane-6-carboxylic acid
SMILESO=C(O)C1CC2(C1)CC(O)(C(F)(F)F)C2
InChIInChI=1S/C9H11F3O3/c10-9(11,12)8(15)3-7(4-8)1-5(2-7)6(13)14/h5,15H,1-4H2,(H,13,14)
InChIKeyYEGLRCAXGDJHGJ-UHFFFAOYSA-N
XLogP1.55
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Spiro[3.3]heptane-2-carboxylic acid
CID 20320775
6-Oxospiro[3.3]heptane-2-carboxylic acid
CID 33695230
6,6-Difluorospiro[3.3]heptane-2-carboxylic acid
CID 71743974
3-(Trifluoromethyl)bicyclo[1.1.1]pentane-1-acetic Acid
CID 118937880
2-(Trifluoromethyl)spiro[3.3]heptane-2-carboxylic acid
CID 136574238
6-Fluorospiro(3.3)heptane-2-carboxylic acid
CID 137838233
2-{Spiro[3.3]heptan-2-yl}acetic acid
CID 138040859
3-{Bicyclo[1.1.1]pentan-1-yl}propanoic acid
CID 165647806
3,3-Difluorospiro(3.3)heptane-1-carboxylic acid
CID 165941611
7,7-Difluorospiro[3.5]nonane-2-carboxylic acid
CID 130671204
3-(3,3-Difluorocyclobutyl)-2,2-dimethylpropanoic acid
CID 131111159
6-(Trifluoromethyl)spiro[3.3]heptane-2-carboxylic acid
CID 135396748

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(trifluoromethyl)spiro[3.3]heptane-6-carboxylic acid?
The IUPAC name of 2-hydroxy-2-(trifluoromethyl)spiro[3.3]heptane-6-carboxylic acid (CID 155820064) is 2-hydroxy-2-(trifluoromethyl)spiro[3.3]heptane-6-carboxylic acid.
What is the SMILES notation for 2-hydroxy-2-(trifluoromethyl)spiro[3.3]heptane-6-carboxylic acid?
The canonical SMILES for 2-hydroxy-2-(trifluoromethyl)spiro[3.3]heptane-6-carboxylic acid is O=C(O)C1CC2(C1)CC(O)(C(F)(F)F)C2.
What is the InChIKey of 2-hydroxy-2-(trifluoromethyl)spiro[3.3]heptane-6-carboxylic acid?
The InChIKey is YEGLRCAXGDJHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3O3/c10-9(11,12)8(15)3-7(4-8)1-5(2-7)6(13)14/h5,15H,1-4H2,(H,13,14).
What are the key properties of 2-hydroxy-2-(trifluoromethyl)spiro[3.3]heptane-6-carboxylic acid?
2-hydroxy-2-(trifluoromethyl)spiro[3.3]heptane-6-carboxylic acid has a molecular weight of 224.18 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(trifluoromethyl)spiro[3.3]heptane-6-carboxylic acid is sourced from PubChem (CID 155820064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).