trans-(1R,2R)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid

C11H9F3O3 — CID 93299372

IUPACtrans-(1R,2R)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F
InChIInChI=1S/C11H9F3O3/c12-11(13,14)17-9-4-2-1-3-6(9)7-5-8(7)10(15)16/h1-4,7-8H,5H2,(H,15,16)/t7-,8+/m0/s1
InChIKeyURRRSJNYUQVDCI-JGVFFNPUSA-N
MW246.18 g/mol
LogP2.77
Rot. Bonds3

About trans-(1R,2R)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 93299372) has the molecular formula C11H9F3O3 and a molecular weight of 246.18 g/mol. Its IUPAC name is trans-(1R,2R)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid
PubChem CID93299372
Molecular FormulaC11H9F3O3
Molecular Weight246.18 g/mol
Exact Mass246.05
IUPAC Nametrans-(1R,2R)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F
InChIInChI=1S/C11H9F3O3/c12-11(13,14)17-9-4-2-1-3-6(9)7-5-8(7)10(15)16/h1-4,7-8H,5H2,(H,15,16)/t7-,8+/m0/s1
InChIKeyURRRSJNYUQVDCI-JGVFFNPUSA-N
XLogP2.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.18
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid (CID 93299372) is trans-(1R,2R)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F.
What is the InChIKey of trans-(1R,2R)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is URRRSJNYUQVDCI-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H9F3O3/c12-11(13,14)17-9-4-2-1-3-6(9)7-5-8(7)10(15)16/h1-4,7-8H,5H2,(H,15,16)/t7-,8+/m0/s1.
What are the key properties of trans-(1R,2R)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 246.18 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 93299372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).