1-(difluoromethoxy)-2,2-difluoro-3-(trifluoromethoxy)propane

C5H5F7O2 — CID 177367821

IUPAC1-(difluoromethoxy)-2,2-difluoro-3-(trifluoromethoxy)propane
SMILESFC(F)OCC(F)(F)COC(F)(F)F
InChIInChI=1S/C5H5F7O2/c6-3(7)13-1-4(8,9)2-14-5(10,11)12/h3H,1-2H2
InChIKeyVICSJCDTKMVVQH-UHFFFAOYSA-N
MW230.08 g/mol
LogP2.40
Rot. Bonds5

About 1-(difluoromethoxy)-2,2-difluoro-3-(trifluoromethoxy)propane

1-(difluoromethoxy)-2,2-difluoro-3-(trifluoromethoxy)propane (PubChem CID 177367821) has the molecular formula C5H5F7O2 and a molecular weight of 230.08 g/mol. Its IUPAC name is 1-(difluoromethoxy)-2,2-difluoro-3-(trifluoromethoxy)propane.

Molecular Properties

Compound Name1-(difluoromethoxy)-2,2-difluoro-3-(trifluoromethoxy)propane
PubChem CID177367821
Molecular FormulaC5H5F7O2
Molecular Weight230.08 g/mol
Exact Mass230.02
IUPAC Name1-(difluoromethoxy)-2,2-difluoro-3-(trifluoromethoxy)propane
SMILESFC(F)OCC(F)(F)COC(F)(F)F
InChIInChI=1S/C5H5F7O2/c6-3(7)13-1-4(8,9)2-14-5(10,11)12/h3H,1-2H2
InChIKeyVICSJCDTKMVVQH-UHFFFAOYSA-N
XLogP2.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.08
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane;1,1,1-trifluoro-2-(trifluoromethoxy)ethane
CID 87586525
1,1,2-trifluoro-3-(trifluoromethoxy)propane
CID 19063472
2,2-difluoro-1-methoxy-3-propan-2-yloxypropane
CID 162617253
1-[2,2-difluoro-3-(trifluoromethoxy)propoxy]-3-methylpentan-3-ol
CID 118549273
2-(3-ethoxy-2,2-difluoropropoxy)-2-methylpropane
CID 88944540
1,1,1,3,3-pentafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)butane
CID 11623808
1,3-bis(1,1,2,2-tetrafluoroethoxy)-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)propane
CID 15155951
trifluoromethoxymethanethiol
CID 87205661
2-(difluoromethoxymethyl)-2-methylbutanoic acid
CID 123470476
(2R)-1-(trifluoromethoxy)butan-2-amine;hydrochloride
CID 139026390
2,2-difluoro-N-methyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine
CID 165462395
2-[2-(trifluoromethoxy)ethoxy]hexane
CID 126552411

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-2,2-difluoro-3-(trifluoromethoxy)propane?
The IUPAC name of 1-(difluoromethoxy)-2,2-difluoro-3-(trifluoromethoxy)propane (CID 177367821) is 1-(difluoromethoxy)-2,2-difluoro-3-(trifluoromethoxy)propane.
What is the SMILES notation for 1-(difluoromethoxy)-2,2-difluoro-3-(trifluoromethoxy)propane?
The canonical SMILES for 1-(difluoromethoxy)-2,2-difluoro-3-(trifluoromethoxy)propane is FC(F)OCC(F)(F)COC(F)(F)F.
What is the InChIKey of 1-(difluoromethoxy)-2,2-difluoro-3-(trifluoromethoxy)propane?
The InChIKey is VICSJCDTKMVVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F7O2/c6-3(7)13-1-4(8,9)2-14-5(10,11)12/h3H,1-2H2.
What are the key properties of 1-(difluoromethoxy)-2,2-difluoro-3-(trifluoromethoxy)propane?
1-(difluoromethoxy)-2,2-difluoro-3-(trifluoromethoxy)propane has a molecular weight of 230.08 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-2,2-difluoro-3-(trifluoromethoxy)propane is sourced from PubChem (CID 177367821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).