1-[(1S)-1-methoxyethyl]-4-(trifluoromethyl)benzene

C10H11F3O — CID 71379545

IUPAC1-[(1S)-1-methoxyethyl]-4-(trifluoromethyl)benzene
SMILESCO[C@@H](C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H11F3O/c1-7(14-2)8-3-5-9(6-4-8)10(11,12)13/h3-7H,1-2H3/t7-/m0/s1
InChIKeyASIYWWJKIRBESZ-ZETCQYMHSA-N
MW204.19 g/mol
LogP3.41
Rot. Bonds2

About 1-[(1S)-1-methoxyethyl]-4-(trifluoromethyl)benzene

1-[(1S)-1-methoxyethyl]-4-(trifluoromethyl)benzene (PubChem CID 71379545) has the molecular formula C10H11F3O and a molecular weight of 204.19 g/mol. Its IUPAC name is 1-[(1S)-1-methoxyethyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[(1S)-1-methoxyethyl]-4-(trifluoromethyl)benzene
PubChem CID71379545
Molecular FormulaC10H11F3O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name1-[(1S)-1-methoxyethyl]-4-(trifluoromethyl)benzene
SMILESCO[C@@H](C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H11F3O/c1-7(14-2)8-3-5-9(6-4-8)10(11,12)13/h3-7H,1-2H3/t7-/m0/s1
InChIKeyASIYWWJKIRBESZ-ZETCQYMHSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-4-(1-methoxyethyl)benzene
CID 15498380
O-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 11805842
1-[chloro(methoxy)methyl]-4-(trifluoromethyl)benzene
CID 15657440
ethane;1-[(1R)-1-methoxyethyl]-3,5-bis(trifluoromethyl)benzene
CID 142256273
1-[(2R)-3-methylbutan-2-yl]-4-(trifluoromethyl)benzene
CID 70880900
1-[bis(4-tert-butylphenyl)methyl]-4-(trifluoromethyl)benzene
CID 155096011
4-[1-[4-(trifluoromethyl)phenyl]ethoxy]aniline
CID 162519931
1-(1-methoxyprop-2-enyl)-4-(trifluoromethyl)benzene
CID 71422189
4-[(1R)-1-methoxyethyl]benzenethiol
CID 124500513
1-[(2S)-3,3-dimethylbutan-2-yl]-4-(trifluoromethyl)benzene
CID 134170918
1-(1-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)benzene
CID 177016674
(2S)-2-methoxy-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 97052451

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-methoxyethyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[(1S)-1-methoxyethyl]-4-(trifluoromethyl)benzene (CID 71379545) is 1-[(1S)-1-methoxyethyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(1S)-1-methoxyethyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[(1S)-1-methoxyethyl]-4-(trifluoromethyl)benzene is CO[C@@H](C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[(1S)-1-methoxyethyl]-4-(trifluoromethyl)benzene?
The InChIKey is ASIYWWJKIRBESZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11F3O/c1-7(14-2)8-3-5-9(6-4-8)10(11,12)13/h3-7H,1-2H3/t7-/m0/s1.
What are the key properties of 1-[(1S)-1-methoxyethyl]-4-(trifluoromethyl)benzene?
1-[(1S)-1-methoxyethyl]-4-(trifluoromethyl)benzene has a molecular weight of 204.19 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-methoxyethyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 71379545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).