(1R,4R)-2,2-difluoro-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid

C10H14F2O2 — CID 130753242

IUPAC(1R,4R)-2,2-difluoro-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid
SMILESCC1(C)[C@@H]2CC[C@@]1(C(=O)O)C(F)(F)C2
InChIInChI=1S/C10H14F2O2/c1-8(2)6-3-4-9(8,7(13)14)10(11,12)5-6/h6H,3-5H2,1-2H3,(H,13,14)/t6-,9+/m1/s1
InChIKeyFGTKKXHSGNYENO-MUWHJKNJSA-N
MW204.22 g/mol
LogP2.53
Rot. Bonds1

About (1R,4R)-2,2-difluoro-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid

(1R,4R)-2,2-difluoro-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid (PubChem CID 130753242) has the molecular formula C10H14F2O2 and a molecular weight of 204.22 g/mol. Its IUPAC name is (1R,4R)-2,2-difluoro-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid.

Molecular Properties

Compound Name(1R,4R)-2,2-difluoro-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid
PubChem CID130753242
Molecular FormulaC10H14F2O2
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name(1R,4R)-2,2-difluoro-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid
SMILESCC1(C)[C@@H]2CC[C@@]1(C(=O)O)C(F)(F)C2
InChIInChI=1S/C10H14F2O2/c1-8(2)6-3-4-9(8,7(13)14)10(11,12)5-6/h6H,3-5H2,1-2H3,(H,13,14)/t6-,9+/m1/s1
InChIKeyFGTKKXHSGNYENO-MUWHJKNJSA-N
XLogP2.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,4R)-2,2-difluoro-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-2,2-difluoro-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid?
The IUPAC name of (1R,4R)-2,2-difluoro-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid (CID 130753242) is (1R,4R)-2,2-difluoro-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid.
What is the SMILES notation for (1R,4R)-2,2-difluoro-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid?
The canonical SMILES for (1R,4R)-2,2-difluoro-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid is CC1(C)[C@@H]2CC[C@@]1(C(=O)O)C(F)(F)C2.
What is the InChIKey of (1R,4R)-2,2-difluoro-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid?
The InChIKey is FGTKKXHSGNYENO-MUWHJKNJSA-N. The full InChI is InChI=1S/C10H14F2O2/c1-8(2)6-3-4-9(8,7(13)14)10(11,12)5-6/h6H,3-5H2,1-2H3,(H,13,14)/t6-,9+/m1/s1.
What are the key properties of (1R,4R)-2,2-difluoro-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid?
(1R,4R)-2,2-difluoro-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid has a molecular weight of 204.22 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-2,2-difluoro-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid is sourced from PubChem (CID 130753242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).