2-ethyl-6-(trifluoromethoxy)-2-(trifluoromethyl)chromen-8-ol

C13H10F6O3 — CID 141097929

IUPAC2-ethyl-6-(trifluoromethoxy)-2-(trifluoromethyl)chromen-8-ol
SMILESCCC1(C(F)(F)F)C=Cc2cc(OC(F)(F)F)cc(O)c2O1
InChIInChI=1S/C13H10F6O3/c1-2-11(12(14,15)16)4-3-7-5-8(21-13(17,18)19)6-9(20)10(7)22-11/h3-6,20H,2H2,1H3
InChIKeySYSMVFZPRREOKQ-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.41
Rot. Bonds2

About 2-ethyl-6-(trifluoromethoxy)-2-(trifluoromethyl)chromen-8-ol

2-ethyl-6-(trifluoromethoxy)-2-(trifluoromethyl)chromen-8-ol (PubChem CID 141097929) has the molecular formula C13H10F6O3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 2-ethyl-6-(trifluoromethoxy)-2-(trifluoromethyl)chromen-8-ol.

Molecular Properties

Compound Name2-ethyl-6-(trifluoromethoxy)-2-(trifluoromethyl)chromen-8-ol
PubChem CID141097929
Molecular FormulaC13H10F6O3
Molecular Weight328.21 g/mol
Exact Mass328.05
IUPAC Name2-ethyl-6-(trifluoromethoxy)-2-(trifluoromethyl)chromen-8-ol
SMILESCCC1(C(F)(F)F)C=Cc2cc(OC(F)(F)F)cc(O)c2O1
InChIInChI=1S/C13H10F6O3/c1-2-11(12(14,15)16)4-3-7-5-8(21-13(17,18)19)6-9(20)10(7)22-11/h3-6,20H,2H2,1H3
InChIKeySYSMVFZPRREOKQ-UHFFFAOYSA-N
XLogP4.41
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-ethyl-6-(trifluoromethoxy)-2-(trifluoromethyl)chromen-8-yl]ethanone
CID 141097928
2-ethyl-2-(trifluoromethyl)chromen-7-ol
CID 141098205
[8-ethyl-6-(trifluoromethoxy)-2-(trifluoromethyl)chromen-2-yl]methyl 3-nitrooxypropanoate
CID 122699825
2-ethyl-7-(2-methylpentan-2-yl)-2-(trifluoromethyl)chromene
CID 141097889
7-(3,3-dimethylbutyl)-2-ethyl-2-(trifluoromethyl)chromene
CID 141098242
2-ethyl-5-methyl-2-(trifluoromethyl)chromene
CID 141097999
5-butyl-5-(trifluoromethyl)furan-2-one
CID 72697428
2-[6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromen-8-yl]propan-2-ol
CID 91394034
3-propan-2-yl-5-(trifluoromethoxy)phenol
CID 170367296
2-[3,5-bis(trifluoromethoxy)phenyl]-4-(3,3-difluoro-2-methoxypropyl)-5,6-dihydro-4H-1,3-oxazin-6-ol
CID 177210080
2-ethyl-4-(trifluoromethoxy)pyridine
CID 166104066
1-fluoro-3-propyl-5-(trifluoromethoxy)benzene
CID 142581036

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(trifluoromethoxy)-2-(trifluoromethyl)chromen-8-ol?
The IUPAC name of 2-ethyl-6-(trifluoromethoxy)-2-(trifluoromethyl)chromen-8-ol (CID 141097929) is 2-ethyl-6-(trifluoromethoxy)-2-(trifluoromethyl)chromen-8-ol.
What is the SMILES notation for 2-ethyl-6-(trifluoromethoxy)-2-(trifluoromethyl)chromen-8-ol?
The canonical SMILES for 2-ethyl-6-(trifluoromethoxy)-2-(trifluoromethyl)chromen-8-ol is CCC1(C(F)(F)F)C=Cc2cc(OC(F)(F)F)cc(O)c2O1.
What is the InChIKey of 2-ethyl-6-(trifluoromethoxy)-2-(trifluoromethyl)chromen-8-ol?
The InChIKey is SYSMVFZPRREOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F6O3/c1-2-11(12(14,15)16)4-3-7-5-8(21-13(17,18)19)6-9(20)10(7)22-11/h3-6,20H,2H2,1H3.
What are the key properties of 2-ethyl-6-(trifluoromethoxy)-2-(trifluoromethyl)chromen-8-ol?
2-ethyl-6-(trifluoromethoxy)-2-(trifluoromethyl)chromen-8-ol has a molecular weight of 328.21 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(trifluoromethoxy)-2-(trifluoromethyl)chromen-8-ol is sourced from PubChem (CID 141097929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).