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

C9H11F3O2 — CID 136574238

IUPAC2-(trifluoromethyl)spiro[3.3]heptane-2-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CC2(CCC2)C1
InChIInChI=1S/C9H11F3O2/c10-9(11,12)8(6(13)14)4-7(5-8)2-1-3-7/h1-5H2,(H,13,14)
InChIKeyNAWSYIZPFCWINZ-UHFFFAOYSA-N
MW208.18 g/mol
LogP2.58
Rot. Bonds1

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

2-(trifluoromethyl)spiro[3.3]heptane-2-carboxylic acid (PubChem CID 136574238) has the molecular formula C9H11F3O2 and a molecular weight of 208.18 g/mol. Its IUPAC name is 2-(trifluoromethyl)spiro[3.3]heptane-2-carboxylic acid.

Molecular Properties

Compound Name2-(trifluoromethyl)spiro[3.3]heptane-2-carboxylic acid
PubChem CID136574238
Molecular FormulaC9H11F3O2
Molecular Weight208.18 g/mol
Exact Mass208.07
IUPAC Name2-(trifluoromethyl)spiro[3.3]heptane-2-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CC2(CCC2)C1
InChIInChI=1S/C9H11F3O2/c10-9(11,12)8(6(13)14)4-7(5-8)2-1-3-7/h1-5H2,(H,13,14)
InChIKeyNAWSYIZPFCWINZ-UHFFFAOYSA-N
XLogP2.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,5,6,6,7,7,7-heptafluoro-4,4-bis(trifluoromethyl)heptanoic Acid
CID 2774849
Spiro[3.3]heptane-2,6-dicarboxylic acid
CID 240836
3-Butylbicyclo[1.1.1]pentane-1-carboxylic acid
CID 85617736
Spiro[3.3]heptane-2-carboxylic acid
CID 20320775
1-(Trifluoromethyl)cyclohexane-1-carboxylic acid
CID 15507524
2-Methylspiro(3.3)heptane-2-carboxylic acid
CID 20320777
6-Oxospiro[3.3]heptane-2-carboxylic acid
CID 33695230
4,4-Difluoro-1-methylcyclohexanecarboxylic acid
CID 53445124
6,6-Difluorospiro[3.3]heptane-2-carboxylic acid
CID 71743974
3-(3,3-Difluorocyclobutyl)propanoic acid
CID 90079824
Dispiro[3.1.3^{6}.1^{4}]decane-2-carboxylic acid
CID 91812220
3-(Trifluoromethyl)bicyclo[1.1.1]pentane-1-acetic Acid
CID 118937880

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)spiro[3.3]heptane-2-carboxylic acid?
The IUPAC name of 2-(trifluoromethyl)spiro[3.3]heptane-2-carboxylic acid (CID 136574238) is 2-(trifluoromethyl)spiro[3.3]heptane-2-carboxylic acid.
What is the SMILES notation for 2-(trifluoromethyl)spiro[3.3]heptane-2-carboxylic acid?
The canonical SMILES for 2-(trifluoromethyl)spiro[3.3]heptane-2-carboxylic acid is O=C(O)C1(C(F)(F)F)CC2(CCC2)C1.
What is the InChIKey of 2-(trifluoromethyl)spiro[3.3]heptane-2-carboxylic acid?
The InChIKey is NAWSYIZPFCWINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3O2/c10-9(11,12)8(6(13)14)4-7(5-8)2-1-3-7/h1-5H2,(H,13,14).
What are the key properties of 2-(trifluoromethyl)spiro[3.3]heptane-2-carboxylic acid?
2-(trifluoromethyl)spiro[3.3]heptane-2-carboxylic acid has a molecular weight of 208.18 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)spiro[3.3]heptane-2-carboxylic acid is sourced from PubChem (CID 136574238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).