1-[2,2-difluoro-3-(trifluoromethoxy)propoxy]-3-methylpentan-3-ol

C10H17F5O3 — CID 118549273

IUPAC1-[2,2-difluoro-3-(trifluoromethoxy)propoxy]-3-methylpentan-3-ol
SMILESCCC(C)(O)CCOCC(F)(F)COC(F)(F)F
InChIInChI=1S/C10H17F5O3/c1-3-8(2,16)4-5-17-6-9(11,12)7-18-10(13,14)15/h16H,3-7H2,1-2H3
InChIKeyGSVFSWGDOIAZIC-UHFFFAOYSA-N
MW280.23 g/mol
LogP2.73
Rot. Bonds8

About 1-[2,2-difluoro-3-(trifluoromethoxy)propoxy]-3-methylpentan-3-ol

1-[2,2-difluoro-3-(trifluoromethoxy)propoxy]-3-methylpentan-3-ol (PubChem CID 118549273) has the molecular formula C10H17F5O3 and a molecular weight of 280.23 g/mol. Its IUPAC name is 1-[2,2-difluoro-3-(trifluoromethoxy)propoxy]-3-methylpentan-3-ol.

Molecular Properties

Compound Name1-[2,2-difluoro-3-(trifluoromethoxy)propoxy]-3-methylpentan-3-ol
PubChem CID118549273
Molecular FormulaC10H17F5O3
Molecular Weight280.23 g/mol
Exact Mass280.11
IUPAC Name1-[2,2-difluoro-3-(trifluoromethoxy)propoxy]-3-methylpentan-3-ol
SMILESCCC(C)(O)CCOCC(F)(F)COC(F)(F)F
InChIInChI=1S/C10H17F5O3/c1-3-8(2,16)4-5-17-6-9(11,12)7-18-10(13,14)15/h16H,3-7H2,1-2H3
InChIKeyGSVFSWGDOIAZIC-UHFFFAOYSA-N
XLogP2.73
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.23
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2,2-difluoro-3-(trifluoromethoxy)propoxy]-3-methylpentan-3-ol?
The IUPAC name of 1-[2,2-difluoro-3-(trifluoromethoxy)propoxy]-3-methylpentan-3-ol (CID 118549273) is 1-[2,2-difluoro-3-(trifluoromethoxy)propoxy]-3-methylpentan-3-ol.
What is the SMILES notation for 1-[2,2-difluoro-3-(trifluoromethoxy)propoxy]-3-methylpentan-3-ol?
The canonical SMILES for 1-[2,2-difluoro-3-(trifluoromethoxy)propoxy]-3-methylpentan-3-ol is CCC(C)(O)CCOCC(F)(F)COC(F)(F)F.
What is the InChIKey of 1-[2,2-difluoro-3-(trifluoromethoxy)propoxy]-3-methylpentan-3-ol?
The InChIKey is GSVFSWGDOIAZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F5O3/c1-3-8(2,16)4-5-17-6-9(11,12)7-18-10(13,14)15/h16H,3-7H2,1-2H3.
What are the key properties of 1-[2,2-difluoro-3-(trifluoromethoxy)propoxy]-3-methylpentan-3-ol?
1-[2,2-difluoro-3-(trifluoromethoxy)propoxy]-3-methylpentan-3-ol has a molecular weight of 280.23 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-difluoro-3-(trifluoromethoxy)propoxy]-3-methylpentan-3-ol is sourced from PubChem (CID 118549273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).