cis-(1R,3S)-2,2-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid

C11H14F3NO3 — CID 114158394

IUPACcis-(1R,3S)-2,2-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC1(C)[C@H](C(=O)O)[C@@H]1C(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C11H14F3NO3/c1-9(2)5(6(9)8(17)18)7(16)15-10(3-4-10)11(12,13)14/h5-6H,3-4H2,1-2H3,(H,15,16)(H,17,18)/t5-,6+/m1/s1
InChIKeyUGZOGWCDVQZIIY-RITPCOANSA-N
MW265.23 g/mol
LogP1.55
Rot. Bonds3

About cis-(1R,3S)-2,2-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid

cis-(1R,3S)-2,2-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 114158394) has the molecular formula C11H14F3NO3 and a molecular weight of 265.23 g/mol. Its IUPAC name is cis-(1R,3S)-2,2-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-2,2-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID114158394
Molecular FormulaC11H14F3NO3
Molecular Weight265.23 g/mol
Exact Mass265.09
IUPAC Namecis-(1R,3S)-2,2-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC1(C)[C@H](C(=O)O)[C@@H]1C(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C11H14F3NO3/c1-9(2)5(6(9)8(17)18)7(16)15-10(3-4-10)11(12,13)14/h5-6H,3-4H2,1-2H3,(H,15,16)(H,17,18)/t5-,6+/m1/s1
InChIKeyUGZOGWCDVQZIIY-RITPCOANSA-N
XLogP1.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-2,2-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-2,2-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 114158394) is cis-(1R,3S)-2,2-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-2,2-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-2,2-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid is CC1(C)[C@H](C(=O)O)[C@@H]1C(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of cis-(1R,3S)-2,2-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is UGZOGWCDVQZIIY-RITPCOANSA-N. The full InChI is InChI=1S/C11H14F3NO3/c1-9(2)5(6(9)8(17)18)7(16)15-10(3-4-10)11(12,13)14/h5-6H,3-4H2,1-2H3,(H,15,16)(H,17,18)/t5-,6+/m1/s1.
What are the key properties of cis-(1R,3S)-2,2-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid?
cis-(1R,3S)-2,2-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 265.23 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-2,2-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 114158394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).