2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylic acid

C9H11F3O2 — CID 58823493

IUPAC2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CC2CCC1C2
InChIInChI=1S/C9H11F3O2/c10-9(11,12)8(7(13)14)4-5-1-2-6(8)3-5/h5-6H,1-4H2,(H,13,14)
InChIKeyRFPCQKBCFSEPOA-UHFFFAOYSA-N
MW208.18 g/mol
LogP2.44
Rot. Bonds1

About 2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylic acid

2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 58823493) has the molecular formula C9H11F3O2 and a molecular weight of 208.18 g/mol. Its IUPAC name is 2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID58823493
Molecular FormulaC9H11F3O2
Molecular Weight208.18 g/mol
Exact Mass208.07
IUPAC Name2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CC2CCC1C2
InChIInChI=1S/C9H11F3O2/c10-9(11,12)8(7(13)14)4-5-1-2-6(8)3-5/h5-6H,1-4H2,(H,13,14)
InChIKeyRFPCQKBCFSEPOA-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Bicyclo(2.2.1)heptane-2-carboxylic acid, 3,3-dimethyl-
CID 99843
Bicyclo[2.2.1]heptane-2-carboxylic acid
CID 79113
Norborn-2-ylacetic acid
CID 79139
Hexahydro-2,5-methanopentalene-3a(1H)-carboxylic acid
CID 2733865
rac-2-((1R,2S,4S)-bicyclo(2.2.1)heptan-2-yl)acetic acid
CID 21674516
exo-Norbornane-2-carboxylic acid
CID 256843
2-Methylbicyclo(2.2.1)heptane-2-carboxylic acid
CID 122552
Tricyclo(5.2.1.0,2,6)decane-2-carboxylic acid
CID 574763
Bicyclo[2.2.1]heptane-2-carboxylic acid, endo-
CID 736412
rac-(1R,2R,4S)-bicyclo(2.2.1)heptane-2-carboxylic acid
CID 946560
(1S,2S,4R)-Bicyclo[2.2.1]heptane-2-carboxylic acid
CID 6560231
(1S,2R,4R)-bicyclo(2.2.1)heptane-2-carboxylic acid
CID 11829530

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylic acid (CID 58823493) is 2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylic acid is O=C(O)C1(C(F)(F)F)CC2CCC1C2.
What is the InChIKey of 2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is RFPCQKBCFSEPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3O2/c10-9(11,12)8(7(13)14)4-5-1-2-6(8)3-5/h5-6H,1-4H2,(H,13,14).
What are the key properties of 2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 208.18 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 58823493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).