4-(1,1-difluoro-2,2-dimethylpropyl)oxan-4-ol

C10H18F2O2 — CID 58044540

IUPAC4-(1,1-difluoro-2,2-dimethylpropyl)oxan-4-ol
SMILESCC(C)(C)C(F)(F)C1(O)CCOCC1
InChIInChI=1S/C10H18F2O2/c1-8(2,3)10(11,12)9(13)4-6-14-7-5-9/h13H,4-7H2,1-3H3
InChIKeyZZEHZLIQNSQQDI-UHFFFAOYSA-N
MW208.25 g/mol
LogP2.21
Rot. Bonds1

About 4-(1,1-difluoro-2,2-dimethylpropyl)oxan-4-ol

4-(1,1-difluoro-2,2-dimethylpropyl)oxan-4-ol (PubChem CID 58044540) has the molecular formula C10H18F2O2 and a molecular weight of 208.25 g/mol. Its IUPAC name is 4-(1,1-difluoro-2,2-dimethylpropyl)oxan-4-ol.

Molecular Properties

Compound Name4-(1,1-difluoro-2,2-dimethylpropyl)oxan-4-ol
PubChem CID58044540
Molecular FormulaC10H18F2O2
Molecular Weight208.25 g/mol
Exact Mass208.13
IUPAC Name4-(1,1-difluoro-2,2-dimethylpropyl)oxan-4-ol
SMILESCC(C)(C)C(F)(F)C1(O)CCOCC1
InChIInChI=1S/C10H18F2O2/c1-8(2,3)10(11,12)9(13)4-6-14-7-5-9/h13H,4-7H2,1-3H3
InChIKeyZZEHZLIQNSQQDI-UHFFFAOYSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoro-2,2-dimethylpropyl)oxan-4-ol?
The IUPAC name of 4-(1,1-difluoro-2,2-dimethylpropyl)oxan-4-ol (CID 58044540) is 4-(1,1-difluoro-2,2-dimethylpropyl)oxan-4-ol.
What is the SMILES notation for 4-(1,1-difluoro-2,2-dimethylpropyl)oxan-4-ol?
The canonical SMILES for 4-(1,1-difluoro-2,2-dimethylpropyl)oxan-4-ol is CC(C)(C)C(F)(F)C1(O)CCOCC1.
What is the InChIKey of 4-(1,1-difluoro-2,2-dimethylpropyl)oxan-4-ol?
The InChIKey is ZZEHZLIQNSQQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O2/c1-8(2,3)10(11,12)9(13)4-6-14-7-5-9/h13H,4-7H2,1-3H3.
What are the key properties of 4-(1,1-difluoro-2,2-dimethylpropyl)oxan-4-ol?
4-(1,1-difluoro-2,2-dimethylpropyl)oxan-4-ol has a molecular weight of 208.25 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoro-2,2-dimethylpropyl)oxan-4-ol is sourced from PubChem (CID 58044540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).