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

Analyze 4-(1,1-difluoro-2,2-dimethylpropyl)oxan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-Dimethyl-4-ethyl-4-tetrahydropyranol
CID 12430717
2,4,4-Trimethyl-2-(trifluoromethyl)oxane
CID 57682260
4-(1,1-Difluoropropyl)oxan-4-ol
CID 117636418
3,5-Dimethyl-5-(pentan-3-yloxymethyl)-6-(5,5,5-trifluoro-2,2,4,4-tetramethylpentoxy)hexan-3-ol
CID 123773546
2-Methyl-2-(2,2,2-trifluoroethyl)oxan-4-ol
CID 123977168
4-[2-Methyl-3-[3-methyl-2-(trifluoromethyl)butoxy]propyl]oxan-4-ol
CID 126561624
4-(1,1-Difluoroethyl)oxan-4-ol;ethane
CID 144130323
3,5-Dimethyl-5-(propan-2-yloxymethyl)-6-(2,2,2-trifluoroethoxy)hexan-3-ol
CID 144860125
4-(Fluoromethyl)-2,2-dimethyloxan-4-ol
CID 145025492
2,4-Dimethyl-2-(2,2,2-trifluoroethoxymethyl)hexane-1,4-diol
CID 146489801
2-Ethyl-4-methyl-2-(5,5,5-trifluoropentoxymethyl)hexane-1,4-diol
CID 146489951
3-(6,6,6-Trifluoro-2,2,4,4-tetramethylhexoxy)propan-1-ol
CID 172274874

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).