1,1-difluoro-2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxyethanol

C10H20F2O3 — CID 88859254

IUPAC1,1-difluoro-2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxyethanol
SMILESCC(C)OCCC(C)(C)OCC(O)(F)F
InChIInChI=1S/C10H20F2O3/c1-8(2)14-6-5-9(3,4)15-7-10(11,12)13/h8,13H,5-7H2,1-4H3
InChIKeyNSYOHOYWMJUUOO-UHFFFAOYSA-N
MW226.26 g/mol
LogP2.18
Rot. Bonds7

About 1,1-difluoro-2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxyethanol

1,1-difluoro-2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxyethanol (PubChem CID 88859254) has the molecular formula C10H20F2O3 and a molecular weight of 226.26 g/mol. Its IUPAC name is 1,1-difluoro-2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxyethanol.

Molecular Properties

Compound Name1,1-difluoro-2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxyethanol
PubChem CID88859254
Molecular FormulaC10H20F2O3
Molecular Weight226.26 g/mol
Exact Mass226.14
IUPAC Name1,1-difluoro-2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxyethanol
SMILESCC(C)OCCC(C)(C)OCC(O)(F)F
InChIInChI=1S/C10H20F2O3/c1-8(2)14-6-5-9(3,4)15-7-10(11,12)13/h8,13H,5-7H2,1-4H3
InChIKeyNSYOHOYWMJUUOO-UHFFFAOYSA-N
XLogP2.18
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Fluoroethoxy)-2-(2-fluoroethoxymethyl)-2-methoxybutane
CID 20783120
1-(2,2-Difluoro-3,3-dimethylbutoxy)-2-methylpropan-2-ol
CID 58044621
3-Butan-2-yloxy-1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)butan-2-ol
CID 59030179
3-Butan-2-yloxy-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
CID 59030181
2-(Butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 59169353
1-(1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-yl)oxy-3-methoxypropan-2-ol
CID 59360321
1,1,1,5,5,5-Hexafluoro-4-(2-hydroxypropoxy)-2,4-bis(trifluoromethyl)pentan-2-ol
CID 59911895
1,1,1-Trifluoro-3-(3-methylbutoxy)propan-2-ol
CID 88052569
1-(2,2-Difluorobutoxy)-2-methylpropan-2-ol
CID 88583150
3-(1,3-Dihydroxypropan-2-yloxy)-2-(fluoromethyl)butane-1,2-diol
CID 88597096
3-Butoxy-2-(butoxymethyl)-1,1,1-trifluoropropan-2-ol
CID 88864543
2,2-Difluoro-2-[3,3,4,4-tetrafluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanol
CID 89027942

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxyethanol?
The IUPAC name of 1,1-difluoro-2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxyethanol (CID 88859254) is 1,1-difluoro-2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxyethanol.
What is the SMILES notation for 1,1-difluoro-2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxyethanol?
The canonical SMILES for 1,1-difluoro-2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxyethanol is CC(C)OCCC(C)(C)OCC(O)(F)F.
What is the InChIKey of 1,1-difluoro-2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxyethanol?
The InChIKey is NSYOHOYWMJUUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2O3/c1-8(2)14-6-5-9(3,4)15-7-10(11,12)13/h8,13H,5-7H2,1-4H3.
What are the key properties of 1,1-difluoro-2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxyethanol?
1,1-difluoro-2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxyethanol has a molecular weight of 226.26 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxyethanol is sourced from PubChem (CID 88859254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).