1-(1,1-difluoro-2-methylpropyl)-3-methoxybenzene

C11H14F2O — CID 116841485

IUPAC1-(1,1-difluoro-2-methylpropyl)-3-methoxybenzene
SMILESCOc1cccc(C(F)(F)C(C)C)c1
InChIInChI=1S/C11H14F2O/c1-8(2)11(12,13)9-5-4-6-10(7-9)14-3/h4-8H,1-3H3
InChIKeyIJEKEOFIHKNHRJ-UHFFFAOYSA-N
MW200.23 g/mol
LogP3.44
Rot. Bonds3

About 1-(1,1-difluoro-2-methylpropyl)-3-methoxybenzene

1-(1,1-difluoro-2-methylpropyl)-3-methoxybenzene (PubChem CID 116841485) has the molecular formula C11H14F2O and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-(1,1-difluoro-2-methylpropyl)-3-methoxybenzene.

Molecular Properties

Compound Name1-(1,1-difluoro-2-methylpropyl)-3-methoxybenzene
PubChem CID116841485
Molecular FormulaC11H14F2O
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name1-(1,1-difluoro-2-methylpropyl)-3-methoxybenzene
SMILESCOc1cccc(C(F)(F)C(C)C)c1
InChIInChI=1S/C11H14F2O/c1-8(2)11(12,13)9-5-4-6-10(7-9)14-3/h4-8H,1-3H3
InChIKeyIJEKEOFIHKNHRJ-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1,1-difluoroethyl)-3-methoxybenzene
CID 116841600
1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methoxybenzene
CID 91442545
1-methoxy-3-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene
CID 176900068
1-fluoro-1-(3-methoxyphenyl)ethanol
CID 174577353
(2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol
CID 166750619
2,2-difluoro-2-(3-methoxyphenyl)acetaldehyde
CID 105441968
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
1-(2-chloropropan-2-yl)-3-methoxybenzene
CID 67293562
chloromethane;(1R)-1-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanamine
CID 164589400
3-(3-methoxyphenyl)-2-N,2-N,4-trimethylpentane-2,3-diamine
CID 43829974
2,2-difluoro-2-(3-methoxyphenyl)acetyl iodide
CID 175177821
3-(3-methoxyphenyl)-2-methylpentan-3-ol;N-methylmethanamine
CID 68829384

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoro-2-methylpropyl)-3-methoxybenzene?
The IUPAC name of 1-(1,1-difluoro-2-methylpropyl)-3-methoxybenzene (CID 116841485) is 1-(1,1-difluoro-2-methylpropyl)-3-methoxybenzene.
What is the SMILES notation for 1-(1,1-difluoro-2-methylpropyl)-3-methoxybenzene?
The canonical SMILES for 1-(1,1-difluoro-2-methylpropyl)-3-methoxybenzene is COc1cccc(C(F)(F)C(C)C)c1.
What is the InChIKey of 1-(1,1-difluoro-2-methylpropyl)-3-methoxybenzene?
The InChIKey is IJEKEOFIHKNHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O/c1-8(2)11(12,13)9-5-4-6-10(7-9)14-3/h4-8H,1-3H3.
What are the key properties of 1-(1,1-difluoro-2-methylpropyl)-3-methoxybenzene?
1-(1,1-difluoro-2-methylpropyl)-3-methoxybenzene has a molecular weight of 200.23 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoro-2-methylpropyl)-3-methoxybenzene is sourced from PubChem (CID 116841485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).