(2R)-2-cyclohexa-2,4-dien-1-yl-3,3,3-trifluoro-2-methoxypropanoic acid

C10H11F3O3 — CID 71165416

IUPAC(2R)-2-cyclohexa-2,4-dien-1-yl-3,3,3-trifluoro-2-methoxypropanoic acid
SMILESCO[C@@](C(=O)O)(C1C=CC=CC1)C(F)(F)F
InChIInChI=1S/C10H11F3O3/c1-16-9(8(14)15,10(11,12)13)7-5-3-2-4-6-7/h2-5,7H,6H2,1H3,(H,14,15)/t7?,9-/m1/s1
InChIKeyGJFBRVSKHPHXHM-NHSZFOGYSA-N
MW236.19 g/mol
LogP2.15
Rot. Bonds3

About (2R)-2-cyclohexa-2,4-dien-1-yl-3,3,3-trifluoro-2-methoxypropanoic acid

(2R)-2-cyclohexa-2,4-dien-1-yl-3,3,3-trifluoro-2-methoxypropanoic acid (PubChem CID 71165416) has the molecular formula C10H11F3O3 and a molecular weight of 236.19 g/mol. Its IUPAC name is (2R)-2-cyclohexa-2,4-dien-1-yl-3,3,3-trifluoro-2-methoxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-cyclohexa-2,4-dien-1-yl-3,3,3-trifluoro-2-methoxypropanoic acid
PubChem CID71165416
Molecular FormulaC10H11F3O3
Molecular Weight236.19 g/mol
Exact Mass236.07
IUPAC Name(2R)-2-cyclohexa-2,4-dien-1-yl-3,3,3-trifluoro-2-methoxypropanoic acid
SMILESCO[C@@](C(=O)O)(C1C=CC=CC1)C(F)(F)F
InChIInChI=1S/C10H11F3O3/c1-16-9(8(14)15,10(11,12)13)7-5-3-2-4-6-7/h2-5,7H,6H2,1H3,(H,14,15)/t7?,9-/m1/s1
InChIKeyGJFBRVSKHPHXHM-NHSZFOGYSA-N
XLogP2.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohexa-2,4-dien-1-yl-3,3,3-trifluoro-2-methoxypropanoic acid?
The IUPAC name of (2R)-2-cyclohexa-2,4-dien-1-yl-3,3,3-trifluoro-2-methoxypropanoic acid (CID 71165416) is (2R)-2-cyclohexa-2,4-dien-1-yl-3,3,3-trifluoro-2-methoxypropanoic acid.
What is the SMILES notation for (2R)-2-cyclohexa-2,4-dien-1-yl-3,3,3-trifluoro-2-methoxypropanoic acid?
The canonical SMILES for (2R)-2-cyclohexa-2,4-dien-1-yl-3,3,3-trifluoro-2-methoxypropanoic acid is CO[C@@](C(=O)O)(C1C=CC=CC1)C(F)(F)F.
What is the InChIKey of (2R)-2-cyclohexa-2,4-dien-1-yl-3,3,3-trifluoro-2-methoxypropanoic acid?
The InChIKey is GJFBRVSKHPHXHM-NHSZFOGYSA-N. The full InChI is InChI=1S/C10H11F3O3/c1-16-9(8(14)15,10(11,12)13)7-5-3-2-4-6-7/h2-5,7H,6H2,1H3,(H,14,15)/t7?,9-/m1/s1.
What are the key properties of (2R)-2-cyclohexa-2,4-dien-1-yl-3,3,3-trifluoro-2-methoxypropanoic acid?
(2R)-2-cyclohexa-2,4-dien-1-yl-3,3,3-trifluoro-2-methoxypropanoic acid has a molecular weight of 236.19 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohexa-2,4-dien-1-yl-3,3,3-trifluoro-2-methoxypropanoic acid is sourced from PubChem (CID 71165416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).