3-methyl-3-(1,1,2,2-tetrafluoroethoxy)butan-1-ol

C7H12F4O2 — CID 88558531

IUPAC3-methyl-3-(1,1,2,2-tetrafluoroethoxy)butan-1-ol
SMILESCC(C)(CCO)OC(F)(F)C(F)F
InChIInChI=1S/C7H12F4O2/c1-6(2,3-4-12)13-7(10,11)5(8)9/h5,12H,3-4H2,1-2H3
InChIKeyDVCMKJLEAVAXTQ-UHFFFAOYSA-N
MW204.16 g/mol
LogP2.02
Rot. Bonds5

About 3-methyl-3-(1,1,2,2-tetrafluoroethoxy)butan-1-ol

3-methyl-3-(1,1,2,2-tetrafluoroethoxy)butan-1-ol (PubChem CID 88558531) has the molecular formula C7H12F4O2 and a molecular weight of 204.16 g/mol. Its IUPAC name is 3-methyl-3-(1,1,2,2-tetrafluoroethoxy)butan-1-ol.

Molecular Properties

Compound Name3-methyl-3-(1,1,2,2-tetrafluoroethoxy)butan-1-ol
PubChem CID88558531
Molecular FormulaC7H12F4O2
Molecular Weight204.16 g/mol
Exact Mass204.08
IUPAC Name3-methyl-3-(1,1,2,2-tetrafluoroethoxy)butan-1-ol
SMILESCC(C)(CCO)OC(F)(F)C(F)F
InChIInChI=1S/C7H12F4O2/c1-6(2,3-4-12)13-7(10,11)5(8)9/h5,12H,3-4H2,1-2H3
InChIKeyDVCMKJLEAVAXTQ-UHFFFAOYSA-N
XLogP2.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.16
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-3-[1,1,2,2-tetrafluoro-3-methyl-3-(trifluoromethoxy)butoxy]butan-1-ol
CID 155219958
2,3-dimethyl-2-(1,1,2,2-tetrafluoroethoxy)butane
CID 139669685
3-methoxy-3-methylbutan-1-ol;hydrate
CID 141489643
copper;3-methoxy-3-methylbutan-1-ol
CID 87410693
1,1,2,2,3,3,4,4-octafluoro-1-(1,1,2,2-tetrafluoroethoxy)pentane
CID 129185682
5-(6-hydroxy-2-methylhexan-2-yl)oxy-5-methylhexan-1-ol
CID 142783625
1-(4-hydroxy-2-methylbutan-2-yl)oxy-3-methylbutan-2-one
CID 123147699
1,1,2,2-tetrafluoro-1-[1-(2-fluoroethoxy)-1-(2,2,2-trifluoroethoxy)ethoxy]ethane
CID 162232328
3-(methoxymethoxy)-3-methylbutan-1-ol
CID 55264350
6-(7-hydroxy-2-methylheptan-2-yl)oxy-6-methylheptan-1-ol
CID 142777284
3,4,4,4-tetrafluoro-3-methylbutan-1-ol
CID 142168875
1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2-tetrafluoroethoxy)propane
CID 12663045

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(1,1,2,2-tetrafluoroethoxy)butan-1-ol?
The IUPAC name of 3-methyl-3-(1,1,2,2-tetrafluoroethoxy)butan-1-ol (CID 88558531) is 3-methyl-3-(1,1,2,2-tetrafluoroethoxy)butan-1-ol.
What is the SMILES notation for 3-methyl-3-(1,1,2,2-tetrafluoroethoxy)butan-1-ol?
The canonical SMILES for 3-methyl-3-(1,1,2,2-tetrafluoroethoxy)butan-1-ol is CC(C)(CCO)OC(F)(F)C(F)F.
What is the InChIKey of 3-methyl-3-(1,1,2,2-tetrafluoroethoxy)butan-1-ol?
The InChIKey is DVCMKJLEAVAXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F4O2/c1-6(2,3-4-12)13-7(10,11)5(8)9/h5,12H,3-4H2,1-2H3.
What are the key properties of 3-methyl-3-(1,1,2,2-tetrafluoroethoxy)butan-1-ol?
3-methyl-3-(1,1,2,2-tetrafluoroethoxy)butan-1-ol has a molecular weight of 204.16 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(1,1,2,2-tetrafluoroethoxy)butan-1-ol is sourced from PubChem (CID 88558531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).