2-[6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromen-8-yl]propan-2-ol

C14H12F6O3 — CID 91394034

IUPAC2-[6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromen-8-yl]propan-2-ol
SMILESCC(C)(O)c1cc(OC(F)(F)F)cc2c1OC(C(F)(F)F)C=C2
InChIInChI=1S/C14H12F6O3/c1-12(2,21)9-6-8(23-14(18,19)20)5-7-3-4-10(13(15,16)17)22-11(7)9/h3-6,10,21H,1-2H3
InChIKeyNZMXZAPMHIJDCF-UHFFFAOYSA-N
MW342.24 g/mol
LogP4.15
Rot. Bonds2

About 2-[6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromen-8-yl]propan-2-ol

2-[6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromen-8-yl]propan-2-ol (PubChem CID 91394034) has the molecular formula C14H12F6O3 and a molecular weight of 342.24 g/mol. Its IUPAC name is 2-[6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromen-8-yl]propan-2-ol.

Molecular Properties

Compound Name2-[6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromen-8-yl]propan-2-ol
PubChem CID91394034
Molecular FormulaC14H12F6O3
Molecular Weight342.24 g/mol
Exact Mass342.07
IUPAC Name2-[6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromen-8-yl]propan-2-ol
SMILESCC(C)(O)c1cc(OC(F)(F)F)cc2c1OC(C(F)(F)F)C=C2
InChIInChI=1S/C14H12F6O3/c1-12(2,21)9-6-8(23-14(18,19)20)5-7-3-4-10(13(15,16)17)22-11(7)9/h3-6,10,21H,1-2H3
InChIKeyNZMXZAPMHIJDCF-UHFFFAOYSA-N
XLogP4.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-6-(4-methoxyphenoxy)-2-(trifluoromethyl)-2H-chromene
CID 141004210
8-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 52942642
ethyl (2S)-8-methyl-6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylate
CID 138563884
8-ethyl-6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;pyridine
CID 87870468
7-(2-chloro-4,5-dimethylphenoxy)-8-methyl-2-(trifluoromethyl)-2H-chromene
CID 141097906
1-aminooxyethyl 6-(trifluoromethoxy)-2-(trifluoromethyl)-8-(trihydroxymethyl)-2H-chromene-3-carboxylate;hydroxyazanium;methanol;pyrrolidine
CID 144890069
methyl 8-ethyl-6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylate
CID 154502126
2-ethyl-6-(trifluoromethoxy)-2-(trifluoromethyl)chromen-8-ol
CID 141097929
3-propan-2-yl-5-(trifluoromethoxy)phenol
CID 170367296
1,2-ditert-butyl-4-(trifluoromethoxy)benzene
CID 153490283
[(3R,3aR,6S,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] (2S)-8-methyl-6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylate
CID 118248696
(2R)-2-(trifluoromethyl)-7-(2,3,5-trimethylphenoxy)-2H-chromene
CID 141098201

Frequently Asked Questions

What is the IUPAC name of 2-[6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromen-8-yl]propan-2-ol?
The IUPAC name of 2-[6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromen-8-yl]propan-2-ol (CID 91394034) is 2-[6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromen-8-yl]propan-2-ol.
What is the SMILES notation for 2-[6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromen-8-yl]propan-2-ol?
The canonical SMILES for 2-[6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromen-8-yl]propan-2-ol is CC(C)(O)c1cc(OC(F)(F)F)cc2c1OC(C(F)(F)F)C=C2.
What is the InChIKey of 2-[6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromen-8-yl]propan-2-ol?
The InChIKey is NZMXZAPMHIJDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F6O3/c1-12(2,21)9-6-8(23-14(18,19)20)5-7-3-4-10(13(15,16)17)22-11(7)9/h3-6,10,21H,1-2H3.
What are the key properties of 2-[6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromen-8-yl]propan-2-ol?
2-[6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromen-8-yl]propan-2-ol has a molecular weight of 342.24 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromen-8-yl]propan-2-ol is sourced from PubChem (CID 91394034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).