1-methyl-2-[(2S)-1-(trifluoromethoxy)propan-2-yl]oxybenzene

C11H13F3O2 — CID 155904142

IUPAC1-methyl-2-[(2S)-1-(trifluoromethoxy)propan-2-yl]oxybenzene
SMILESCc1ccccc1O[C@@H](C)COC(F)(F)F
InChIInChI=1S/C11H13F3O2/c1-8-5-3-4-6-10(8)16-9(2)7-15-11(12,13)14/h3-6,9H,7H2,1-2H3/t9-/m0/s1
InChIKeyHATAUXRBSIQHDG-VIFPVBQESA-N
MW234.22 g/mol
LogP3.30
Rot. Bonds4

About 1-methyl-2-[(2S)-1-(trifluoromethoxy)propan-2-yl]oxybenzene

1-methyl-2-[(2S)-1-(trifluoromethoxy)propan-2-yl]oxybenzene (PubChem CID 155904142) has the molecular formula C11H13F3O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-methyl-2-[(2S)-1-(trifluoromethoxy)propan-2-yl]oxybenzene.

Molecular Properties

Compound Name1-methyl-2-[(2S)-1-(trifluoromethoxy)propan-2-yl]oxybenzene
PubChem CID155904142
Molecular FormulaC11H13F3O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name1-methyl-2-[(2S)-1-(trifluoromethoxy)propan-2-yl]oxybenzene
SMILESCc1ccccc1O[C@@H](C)COC(F)(F)F
InChIInChI=1S/C11H13F3O2/c1-8-5-3-4-6-10(8)16-9(2)7-15-11(12,13)14/h3-6,9H,7H2,1-2H3/t9-/m0/s1
InChIKeyHATAUXRBSIQHDG-VIFPVBQESA-N
XLogP3.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 64707496
1-methyl-2-(1,2,2,2-tetrafluoroethoxy)benzene
CID 57121963
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CID 82280822
1-methyl-2-(trifluoromethoxy)benzene
CID 159717363
1-(1-iodoethoxy)-2-methylbenzene
CID 135136268
N-tert-butyl-4-(2-methylphenoxy)pentan-1-amine
CID 55076647
1-amino-4-(2-methylphenoxy)pentan-2-one
CID 82395635
2,2-bis(2-methylphenoxy)ethylphosphane
CID 175048136
1-methyl-2-propan-2-yloxybenzene;trichlororuthenium
CID 175208112
2-methyl-3-(methylamino)-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride
CID 119804994
2-methyl-2-(methylamino)-4-(2-methylphenoxy)pentanoic acid
CID 64706223
1-[(2S,5S)-5-(2-methylphenoxy)hexan-2-yl]piperidine
CID 7460526

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(2S)-1-(trifluoromethoxy)propan-2-yl]oxybenzene?
The IUPAC name of 1-methyl-2-[(2S)-1-(trifluoromethoxy)propan-2-yl]oxybenzene (CID 155904142) is 1-methyl-2-[(2S)-1-(trifluoromethoxy)propan-2-yl]oxybenzene.
What is the SMILES notation for 1-methyl-2-[(2S)-1-(trifluoromethoxy)propan-2-yl]oxybenzene?
The canonical SMILES for 1-methyl-2-[(2S)-1-(trifluoromethoxy)propan-2-yl]oxybenzene is Cc1ccccc1O[C@@H](C)COC(F)(F)F.
What is the InChIKey of 1-methyl-2-[(2S)-1-(trifluoromethoxy)propan-2-yl]oxybenzene?
The InChIKey is HATAUXRBSIQHDG-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13F3O2/c1-8-5-3-4-6-10(8)16-9(2)7-15-11(12,13)14/h3-6,9H,7H2,1-2H3/t9-/m0/s1.
What are the key properties of 1-methyl-2-[(2S)-1-(trifluoromethoxy)propan-2-yl]oxybenzene?
1-methyl-2-[(2S)-1-(trifluoromethoxy)propan-2-yl]oxybenzene has a molecular weight of 234.22 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(2S)-1-(trifluoromethoxy)propan-2-yl]oxybenzene is sourced from PubChem (CID 155904142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).