1,3-difluoro-2-(1-fluoro-2-methylpropan-2-yl)-5-methoxybenzene

C11H13F3O — CID 70990663

IUPAC1,3-difluoro-2-(1-fluoro-2-methylpropan-2-yl)-5-methoxybenzene
SMILESCOc1cc(F)c(C(C)(C)CF)c(F)c1
InChIInChI=1S/C11H13F3O/c1-11(2,6-12)10-8(13)4-7(15-3)5-9(10)14/h4-5H,6H2,1-3H3
InChIKeyPKWGVNIMSQYUNT-UHFFFAOYSA-N
MW218.22 g/mol
LogP3.22
Rot. Bonds3

About 1,3-difluoro-2-(1-fluoro-2-methylpropan-2-yl)-5-methoxybenzene

1,3-difluoro-2-(1-fluoro-2-methylpropan-2-yl)-5-methoxybenzene (PubChem CID 70990663) has the molecular formula C11H13F3O and a molecular weight of 218.22 g/mol. Its IUPAC name is 1,3-difluoro-2-(1-fluoro-2-methylpropan-2-yl)-5-methoxybenzene.

Molecular Properties

Compound Name1,3-difluoro-2-(1-fluoro-2-methylpropan-2-yl)-5-methoxybenzene
PubChem CID70990663
Molecular FormulaC11H13F3O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name1,3-difluoro-2-(1-fluoro-2-methylpropan-2-yl)-5-methoxybenzene
SMILESCOc1cc(F)c(C(C)(C)CF)c(F)c1
InChIInChI=1S/C11H13F3O/c1-11(2,6-12)10-8(13)4-7(15-3)5-9(10)14/h4-5H,6H2,1-3H3
InChIKeyPKWGVNIMSQYUNT-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,6-difluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79830186
1-bromo-3-fluoro-5-methoxy-2-(trifluoromethyl)benzene
CID 171000164
1-ethyl-2,3-difluoro-5-methoxybenzene
CID 149025981
1-(2-chloro-6-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine
CID 84795134
2-fluoro-4-methoxy-1-(2-methylbutan-2-yl)benzene
CID 134360467
N-[(2,3-difluoro-5-methoxyphenyl)methyl]-N-methylhydroxylamine
CID 84777076
(2,6-difluoro-4-methoxyphenyl)methanol
CID 3736239
1,3-difluoro-5-methoxy-2-propylbenzene
CID 89112657
(2,6-difluoro-4-methoxyphenyl)methanamine;hydrochloride
CID 162342560
2-(2-chloroethyl)-1,3-difluoro-5-methoxybenzene
CID 53403518
2-(1,1-difluoroethyl)-1,3,5-trimethoxybenzene
CID 116841570
2-(4,6-difluoro-2,3-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117367449

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-(1-fluoro-2-methylpropan-2-yl)-5-methoxybenzene?
The IUPAC name of 1,3-difluoro-2-(1-fluoro-2-methylpropan-2-yl)-5-methoxybenzene (CID 70990663) is 1,3-difluoro-2-(1-fluoro-2-methylpropan-2-yl)-5-methoxybenzene.
What is the SMILES notation for 1,3-difluoro-2-(1-fluoro-2-methylpropan-2-yl)-5-methoxybenzene?
The canonical SMILES for 1,3-difluoro-2-(1-fluoro-2-methylpropan-2-yl)-5-methoxybenzene is COc1cc(F)c(C(C)(C)CF)c(F)c1.
What is the InChIKey of 1,3-difluoro-2-(1-fluoro-2-methylpropan-2-yl)-5-methoxybenzene?
The InChIKey is PKWGVNIMSQYUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O/c1-11(2,6-12)10-8(13)4-7(15-3)5-9(10)14/h4-5H,6H2,1-3H3.
What are the key properties of 1,3-difluoro-2-(1-fluoro-2-methylpropan-2-yl)-5-methoxybenzene?
1,3-difluoro-2-(1-fluoro-2-methylpropan-2-yl)-5-methoxybenzene has a molecular weight of 218.22 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-(1-fluoro-2-methylpropan-2-yl)-5-methoxybenzene is sourced from PubChem (CID 70990663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).