butane;1,2-difluoro-3-methoxy-4-methylbenzene

C12H18F2O — CID 166159976

IUPACbutane;1,2-difluoro-3-methoxy-4-methylbenzene
SMILESCCCC.COc1c(C)ccc(F)c1F
InChIInChI=1S/C8H8F2O.C4H10/c1-5-3-4-6(9)7(10)8(5)11-2;1-3-4-2/h3-4H,1-2H3;3-4H2,1-2H3
InChIKeyLWAKSBXDKCVYMC-UHFFFAOYSA-N
MW216.27 g/mol
LogP4.09
Rot. Bonds2

About butane;1,2-difluoro-3-methoxy-4-methylbenzene

butane;1,2-difluoro-3-methoxy-4-methylbenzene (PubChem CID 166159976) has the molecular formula C12H18F2O and a molecular weight of 216.27 g/mol. Its IUPAC name is butane;1,2-difluoro-3-methoxy-4-methylbenzene.

Molecular Properties

Compound Namebutane;1,2-difluoro-3-methoxy-4-methylbenzene
PubChem CID166159976
Molecular FormulaC12H18F2O
Molecular Weight216.27 g/mol
Exact Mass216.13
IUPAC Namebutane;1,2-difluoro-3-methoxy-4-methylbenzene
SMILESCCCC.COc1c(C)ccc(F)c1F
InChIInChI=1S/C8H8F2O.C4H10/c1-5-3-4-6(9)7(10)8(5)11-2;1-3-4-2/h3-4H,1-2H3;3-4H2,1-2H3
InChIKeyLWAKSBXDKCVYMC-UHFFFAOYSA-N
XLogP4.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-1-fluoro-3-methoxy-4-methylbenzene
CID 167211953
1,2-difluoro-3,4-dimethoxybenzene
CID 67100030
CID 151897513
CID 151897513
2-(2-fluoro-3-methoxy-4-methylphenyl)acetic acid
CID 171019420
4-(6-fluoro-2-methoxy-3-methylphenyl)butan-1-amine
CID 117301936
1,2-difluoro-3-(2-iodopropan-2-yloxy)-4-methylbenzene
CID 155096274
1-ethenyl-2-fluoro-3-methoxy-4-methylbenzene
CID 145207098
(3,4-difluoro-2-methoxyphenyl)-methoxyborinic acid
CID 145222116
1-fluoro-2-methoxy-4-methyl-3-propan-2-yloxybenzene
CID 130057945
3-fluoro-2-methoxy-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 130328241
2-(6-fluoro-2-methoxy-3-methylphenyl)acetic acid
CID 84668066
1-(6-fluoro-2-methoxy-3-methylphenyl)ethanone
CID 84658393

Frequently Asked Questions

What is the IUPAC name of butane;1,2-difluoro-3-methoxy-4-methylbenzene?
The IUPAC name of butane;1,2-difluoro-3-methoxy-4-methylbenzene (CID 166159976) is butane;1,2-difluoro-3-methoxy-4-methylbenzene.
What is the SMILES notation for butane;1,2-difluoro-3-methoxy-4-methylbenzene?
The canonical SMILES for butane;1,2-difluoro-3-methoxy-4-methylbenzene is CCCC.COc1c(C)ccc(F)c1F.
What is the InChIKey of butane;1,2-difluoro-3-methoxy-4-methylbenzene?
The InChIKey is LWAKSBXDKCVYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O.C4H10/c1-5-3-4-6(9)7(10)8(5)11-2;1-3-4-2/h3-4H,1-2H3;3-4H2,1-2H3.
What are the key properties of butane;1,2-difluoro-3-methoxy-4-methylbenzene?
butane;1,2-difluoro-3-methoxy-4-methylbenzene has a molecular weight of 216.27 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1,2-difluoro-3-methoxy-4-methylbenzene is sourced from PubChem (CID 166159976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).