2,2,2-trifluoro-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanol

C10H8F6O2 — CID 83949728

IUPAC2,2,2-trifluoro-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanol
SMILESCOc1ccc(C(F)(F)F)cc1C(O)C(F)(F)F
InChIInChI=1S/C10H8F6O2/c1-18-7-3-2-5(9(11,12)13)4-6(7)8(17)10(14,15)16/h2-4,8,17H,1H3
InChIKeyBRYYBDZKVPKXCZ-UHFFFAOYSA-N
MW274.16 g/mol
LogP3.31
Rot. Bonds2

About 2,2,2-trifluoro-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanol

2,2,2-trifluoro-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanol (PubChem CID 83949728) has the molecular formula C10H8F6O2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanol
PubChem CID83949728
Molecular FormulaC10H8F6O2
Molecular Weight274.16 g/mol
Exact Mass274.04
IUPAC Name2,2,2-trifluoro-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanol
SMILESCOc1ccc(C(F)(F)F)cc1C(O)C(F)(F)F
InChIInChI=1S/C10H8F6O2/c1-18-7-3-2-5(9(11,12)13)4-6(7)8(17)10(14,15)16/h2-4,8,17H,1H3
InChIKeyBRYYBDZKVPKXCZ-UHFFFAOYSA-N
XLogP3.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(difluoromethyl)-1-methoxy-4-(trifluoromethyl)benzene
CID 46311740
1-(5-bromo-2-methoxyphenyl)-2,2,2-trifluoroethanol
CID 61101686
3-[2-methoxy-5-(trifluoromethyl)phenyl]-3-(methylamino)propan-1-ol
CID 83921064
2-(4-bromo-3-methylbutan-2-yl)-1-methoxy-4-(trifluoromethyl)benzene
CID 83921031
N-[2,3-dihydroxy-3-[2-methoxy-5-(trifluoromethyl)phenyl]propyl]acetamide
CID 170831338
5-[2-methoxy-5-(trifluoromethyl)phenyl]hexan-2-one
CID 83921024
(5-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 63896012
1-(5-bromo-2-methoxy-4-methylphenyl)-2,2,2-trifluoroethanol
CID 65433362
4-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-1-amine
CID 83921087
2-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 155973060
2-ethynyl-1-methoxy-4-(trifluoromethyl)benzene
CID 138985776
2-amino-1-[5-(1,1-difluoroethyl)-2-methoxyphenyl]propan-1-ol
CID 84705080

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanol (CID 83949728) is 2,2,2-trifluoro-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanol is COc1ccc(C(F)(F)F)cc1C(O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanol?
The InChIKey is BRYYBDZKVPKXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6O2/c1-18-7-3-2-5(9(11,12)13)4-6(7)8(17)10(14,15)16/h2-4,8,17H,1H3.
What are the key properties of 2,2,2-trifluoro-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanol?
2,2,2-trifluoro-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanol has a molecular weight of 274.16 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 83949728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).