1-methoxy-4-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene

C12H15F3O2 — CID 156763397

IUPAC1-methoxy-4-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene
SMILESCOc1ccc(C(C)(CC(F)(F)F)OC)cc1
InChIInChI=1S/C12H15F3O2/c1-11(17-3,8-12(13,14)15)9-4-6-10(16-2)7-5-9/h4-7H,8H2,1-3H3
InChIKeyOWBBEGMAOZMJQG-UHFFFAOYSA-N
MW248.24 g/mol
LogP3.51
Rot. Bonds4

About 1-methoxy-4-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene

1-methoxy-4-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene (PubChem CID 156763397) has the molecular formula C12H15F3O2 and a molecular weight of 248.24 g/mol. Its IUPAC name is 1-methoxy-4-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene.

Molecular Properties

Compound Name1-methoxy-4-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene
PubChem CID156763397
Molecular FormulaC12H15F3O2
Molecular Weight248.24 g/mol
Exact Mass248.10
IUPAC Name1-methoxy-4-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene
SMILESCOc1ccc(C(C)(CC(F)(F)F)OC)cc1
InChIInChI=1S/C12H15F3O2/c1-11(17-3,8-12(13,14)15)9-4-6-10(16-2)7-5-9/h4-7H,8H2,1-3H3
InChIKeyOWBBEGMAOZMJQG-UHFFFAOYSA-N
XLogP3.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-4-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]benzene
CID 156763937
2-methoxy-2-(4-methoxyphenyl)propan-1-ol
CID 105449931
1-tert-butyl-4-(4,4,5,5,6,6,6-heptafluoro-2-methoxyhexan-2-yl)benzene
CID 156764195
1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)ethyl]benzene
CID 100982680
1-chloro-4-(4,4,5,5,5-pentafluoro-2-methoxypentan-2-yl)benzene
CID 156764476
1,4-bis[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]benzene
CID 88568102
1-[2,4-bis(4-methoxyphenyl)-4-methylpentan-2-yl]-4-methoxybenzene
CID 633671
1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methoxydecan-2-yl)-4-propan-2-yloxybenzene
CID 156765154
1,4-bis[dimethoxy-(4-methoxyphenyl)methyl]benzene
CID 86224004
1-[ethoxy(difluoro)methyl]-4-methoxybenzene
CID 102488284
4-methoxy-N-(2,2,2-trifluoroethyl)aniline
CID 28585897
1-ethyl-4-(4,4,5,5,6,6,6-heptafluoro-2-methoxyhexan-2-yl)benzene
CID 156765862

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene?
The IUPAC name of 1-methoxy-4-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene (CID 156763397) is 1-methoxy-4-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene.
What is the SMILES notation for 1-methoxy-4-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene?
The canonical SMILES for 1-methoxy-4-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene is COc1ccc(C(C)(CC(F)(F)F)OC)cc1.
What is the InChIKey of 1-methoxy-4-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene?
The InChIKey is OWBBEGMAOZMJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O2/c1-11(17-3,8-12(13,14)15)9-4-6-10(16-2)7-5-9/h4-7H,8H2,1-3H3.
What are the key properties of 1-methoxy-4-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene?
1-methoxy-4-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene has a molecular weight of 248.24 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene is sourced from PubChem (CID 156763397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).