(2R)-6-(trifluoromethoxy)-2-(trifluoromethyl)-2,7b-dihydro-1H-cyclopropa[c]chromene-1a-carboxylic acid

C13H8F6O4 — CID 11515670

IUPAC(2R)-6-(trifluoromethoxy)-2-(trifluoromethyl)-2,7b-dihydro-1H-cyclopropa[c]chromene-1a-carboxylic acid
SMILESO=C(O)C12CC1c1cc(OC(F)(F)F)ccc1O[C@H]2C(F)(F)F
InChIInChI=1S/C13H8F6O4/c14-12(15,16)9-11(10(20)21)4-7(11)6-3-5(23-13(17,18)19)1-2-8(6)22-9/h1-3,7,9H,4H2,(H,20,21)/t7?,9-,11?/m1/s1
InChIKeyFOAWAWMGWFSIIY-PUDKOPFASA-N
MW342.19 g/mol
LogP3.47
Rot. Bonds2

About (2R)-6-(trifluoromethoxy)-2-(trifluoromethyl)-2,7b-dihydro-1H-cyclopropa[c]chromene-1a-carboxylic acid

(2R)-6-(trifluoromethoxy)-2-(trifluoromethyl)-2,7b-dihydro-1H-cyclopropa[c]chromene-1a-carboxylic acid (PubChem CID 11515670) has the molecular formula C13H8F6O4 and a molecular weight of 342.19 g/mol. Its IUPAC name is (2R)-6-(trifluoromethoxy)-2-(trifluoromethyl)-2,7b-dihydro-1H-cyclopropa[c]chromene-1a-carboxylic acid.

Molecular Properties

Compound Name(2R)-6-(trifluoromethoxy)-2-(trifluoromethyl)-2,7b-dihydro-1H-cyclopropa[c]chromene-1a-carboxylic acid
PubChem CID11515670
Molecular FormulaC13H8F6O4
Molecular Weight342.19 g/mol
Exact Mass342.03
IUPAC Name(2R)-6-(trifluoromethoxy)-2-(trifluoromethyl)-2,7b-dihydro-1H-cyclopropa[c]chromene-1a-carboxylic acid
SMILESO=C(O)C12CC1c1cc(OC(F)(F)F)ccc1O[C@H]2C(F)(F)F
InChIInChI=1S/C13H8F6O4/c14-12(15,16)9-11(10(20)21)4-7(11)6-3-5(23-13(17,18)19)1-2-8(6)22-9/h1-3,7,9H,4H2,(H,20,21)/t7?,9-,11?/m1/s1
InChIKeyFOAWAWMGWFSIIY-PUDKOPFASA-N
XLogP3.47
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(trifluoromethoxy)-2,7b-dihydro-1H-cyclopropa[c]chromene-1a-carboxylic acid
CID 143212851
6-(trifluoromethoxy)spiro[3,4-dihydrochromene-2,1'-cyclopropane]-3-carboxylic acid
CID 163938213
(3aS,4R,9aR)-4-methoxy-6-(trifluoromethoxy)-3,3a,4,9a-tetrahydro-2H-furo[2,3-b]chromene
CID 110135092
3-[2-fluoro-5-(trifluoromethoxy)phenyl]-8-oxabicyclo[3.2.1]octan-3-ol
CID 171956807
(1R,8R)-4-(trifluoromethoxy)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9-carboxylic acid
CID 10923663
5-(trifluoromethoxy)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9-carboxylic acid
CID 15533620
1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxylic acid
CID 62740964
(4R)-6-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 91844836
(4S)-5,5-difluoro-4-[2-fluoro-5-(trifluoromethoxy)phenyl]-1,3-oxazinan-2-one
CID 171187443
(2R)-3-[2-chloro-4-(trifluoromethoxy)phenyl]-5-methyl-5-(trifluoromethyl)oxolane-2-carboxylic acid
CID 175539913
(4R)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one;hydrochloride
CID 171184750
N-[3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-3,4-dihydrochromen-4-yl]furan-2-carboxamide
CID 19824178

Frequently Asked Questions

What is the IUPAC name of (2R)-6-(trifluoromethoxy)-2-(trifluoromethyl)-2,7b-dihydro-1H-cyclopropa[c]chromene-1a-carboxylic acid?
The IUPAC name of (2R)-6-(trifluoromethoxy)-2-(trifluoromethyl)-2,7b-dihydro-1H-cyclopropa[c]chromene-1a-carboxylic acid (CID 11515670) is (2R)-6-(trifluoromethoxy)-2-(trifluoromethyl)-2,7b-dihydro-1H-cyclopropa[c]chromene-1a-carboxylic acid.
What is the SMILES notation for (2R)-6-(trifluoromethoxy)-2-(trifluoromethyl)-2,7b-dihydro-1H-cyclopropa[c]chromene-1a-carboxylic acid?
The canonical SMILES for (2R)-6-(trifluoromethoxy)-2-(trifluoromethyl)-2,7b-dihydro-1H-cyclopropa[c]chromene-1a-carboxylic acid is O=C(O)C12CC1c1cc(OC(F)(F)F)ccc1O[C@H]2C(F)(F)F.
What is the InChIKey of (2R)-6-(trifluoromethoxy)-2-(trifluoromethyl)-2,7b-dihydro-1H-cyclopropa[c]chromene-1a-carboxylic acid?
The InChIKey is FOAWAWMGWFSIIY-PUDKOPFASA-N. The full InChI is InChI=1S/C13H8F6O4/c14-12(15,16)9-11(10(20)21)4-7(11)6-3-5(23-13(17,18)19)1-2-8(6)22-9/h1-3,7,9H,4H2,(H,20,21)/t7?,9-,11?/m1/s1.
What are the key properties of (2R)-6-(trifluoromethoxy)-2-(trifluoromethyl)-2,7b-dihydro-1H-cyclopropa[c]chromene-1a-carboxylic acid?
(2R)-6-(trifluoromethoxy)-2-(trifluoromethyl)-2,7b-dihydro-1H-cyclopropa[c]chromene-1a-carboxylic acid has a molecular weight of 342.19 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-(trifluoromethoxy)-2-(trifluoromethyl)-2,7b-dihydro-1H-cyclopropa[c]chromene-1a-carboxylic acid is sourced from PubChem (CID 11515670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).