(2R)-1-(4,4-difluorocyclohexyl)-2-methylpyrrolidine-3-carboxylic acid

C12H19F2NO2 — CID 118551185

IUPAC(2R)-1-(4,4-difluorocyclohexyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESC[C@@H]1C(C(=O)O)CCN1C1CCC(F)(F)CC1
InChIInChI=1S/C12H19F2NO2/c1-8-10(11(16)17)4-7-15(8)9-2-5-12(13,14)6-3-9/h8-10H,2-7H2,1H3,(H,16,17)/t8-,10?/m1/s1
InChIKeyVEJDGUBTEDBSHU-HNHGDDPOSA-N
MW247.28 g/mol
LogP2.36
Rot. Bonds2

About (2R)-1-(4,4-difluorocyclohexyl)-2-methylpyrrolidine-3-carboxylic acid

(2R)-1-(4,4-difluorocyclohexyl)-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 118551185) has the molecular formula C12H19F2NO2 and a molecular weight of 247.28 g/mol. Its IUPAC name is (2R)-1-(4,4-difluorocyclohexyl)-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(4,4-difluorocyclohexyl)-2-methylpyrrolidine-3-carboxylic acid
PubChem CID118551185
Molecular FormulaC12H19F2NO2
Molecular Weight247.28 g/mol
Exact Mass247.14
IUPAC Name(2R)-1-(4,4-difluorocyclohexyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESC[C@@H]1C(C(=O)O)CCN1C1CCC(F)(F)CC1
InChIInChI=1S/C12H19F2NO2/c1-8-10(11(16)17)4-7-15(8)9-2-5-12(13,14)6-3-9/h8-10H,2-7H2,1H3,(H,16,17)/t8-,10?/m1/s1
InChIKeyVEJDGUBTEDBSHU-HNHGDDPOSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4,4-difluorocyclohexyl)-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of (2R)-1-(4,4-difluorocyclohexyl)-2-methylpyrrolidine-3-carboxylic acid (CID 118551185) is (2R)-1-(4,4-difluorocyclohexyl)-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (2R)-1-(4,4-difluorocyclohexyl)-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (2R)-1-(4,4-difluorocyclohexyl)-2-methylpyrrolidine-3-carboxylic acid is C[C@@H]1C(C(=O)O)CCN1C1CCC(F)(F)CC1.
What is the InChIKey of (2R)-1-(4,4-difluorocyclohexyl)-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is VEJDGUBTEDBSHU-HNHGDDPOSA-N. The full InChI is InChI=1S/C12H19F2NO2/c1-8-10(11(16)17)4-7-15(8)9-2-5-12(13,14)6-3-9/h8-10H,2-7H2,1H3,(H,16,17)/t8-,10?/m1/s1.
What are the key properties of (2R)-1-(4,4-difluorocyclohexyl)-2-methylpyrrolidine-3-carboxylic acid?
(2R)-1-(4,4-difluorocyclohexyl)-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 247.28 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4,4-difluorocyclohexyl)-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 118551185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).