1-(2,6-difluorophenyl)-2-(methoxymethyl)-3-methylbutan-2-ol

C13H18F2O2 — CID 114931097

IUPAC1-(2,6-difluorophenyl)-2-(methoxymethyl)-3-methylbutan-2-ol
SMILESCOCC(O)(Cc1c(F)cccc1F)C(C)C
InChIInChI=1S/C13H18F2O2/c1-9(2)13(16,8-17-3)7-10-11(14)5-4-6-12(10)15/h4-6,9,16H,7-8H2,1-3H3
InChIKeyQEPPMESWUBGJAR-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.54
Rot. Bonds5

About 1-(2,6-difluorophenyl)-2-(methoxymethyl)-3-methylbutan-2-ol

1-(2,6-difluorophenyl)-2-(methoxymethyl)-3-methylbutan-2-ol (PubChem CID 114931097) has the molecular formula C13H18F2O2 and a molecular weight of 244.28 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-(methoxymethyl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-(methoxymethyl)-3-methylbutan-2-ol
PubChem CID114931097
Molecular FormulaC13H18F2O2
Molecular Weight244.28 g/mol
Exact Mass244.13
IUPAC Name1-(2,6-difluorophenyl)-2-(methoxymethyl)-3-methylbutan-2-ol
SMILESCOCC(O)(Cc1c(F)cccc1F)C(C)C
InChIInChI=1S/C13H18F2O2/c1-9(2)13(16,8-17-3)7-10-11(14)5-4-6-12(10)15/h4-6,9,16H,7-8H2,1-3H3
InChIKeyQEPPMESWUBGJAR-UHFFFAOYSA-N
XLogP2.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-3-methoxy-2-methylpropan-2-ol
CID 114930994
1-(2,6-difluorophenyl)-2,3-dimethylbutan-2-ol
CID 114930978
4-[(2,6-difluorophenyl)methyl]-2,6-dimethylheptan-4-ol
CID 114931192
1-(2,6-difluorophenyl)-2-(4-methoxyphenyl)propan-2-ol
CID 114930972
1-(2,6-difluorophenyl)-2-phenylpropan-2-ol
CID 114930959
1-(2,6-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 114930965
1-(2,6-difluorophenyl)-2-methylbutan-2-ol
CID 114930976
3-(aminomethyl)-4-(2,6-difluorophenyl)-3-methylbutan-2-ol
CID 114934759
1-(2,6-difluorophenyl)butane-2,3-diol
CID 103452859
2-(2-fluoro-3-methoxyphenyl)-1-methoxy-3-methylbutan-2-ol
CID 82806354
1-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-2-ol
CID 114930963
methyl 2-(aminomethyl)-3-(2,6-difluorophenyl)-2-methylpropanoate
CID 106487932

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-(methoxymethyl)-3-methylbutan-2-ol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-(methoxymethyl)-3-methylbutan-2-ol (CID 114931097) is 1-(2,6-difluorophenyl)-2-(methoxymethyl)-3-methylbutan-2-ol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-(methoxymethyl)-3-methylbutan-2-ol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-(methoxymethyl)-3-methylbutan-2-ol is COCC(O)(Cc1c(F)cccc1F)C(C)C.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-(methoxymethyl)-3-methylbutan-2-ol?
The InChIKey is QEPPMESWUBGJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2O2/c1-9(2)13(16,8-17-3)7-10-11(14)5-4-6-12(10)15/h4-6,9,16H,7-8H2,1-3H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-(methoxymethyl)-3-methylbutan-2-ol?
1-(2,6-difluorophenyl)-2-(methoxymethyl)-3-methylbutan-2-ol has a molecular weight of 244.28 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-(methoxymethyl)-3-methylbutan-2-ol is sourced from PubChem (CID 114931097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).