1-(1,1-difluoroethoxy)-2-fluoropropane

C5H9F3O — CID 175617747

IUPAC1-(1,1-difluoroethoxy)-2-fluoropropane
SMILESCC(F)COC(C)(F)F
InChIInChI=1S/C5H9F3O/c1-4(6)3-9-5(2,7)8/h4H,3H2,1-2H3
InChIKeyDJCITFNNOGIVMW-UHFFFAOYSA-N
MW142.12 g/mol
LogP1.97
Rot. Bonds3

About 1-(1,1-difluoroethoxy)-2-fluoropropane

1-(1,1-difluoroethoxy)-2-fluoropropane (PubChem CID 175617747) has the molecular formula C5H9F3O and a molecular weight of 142.12 g/mol. Its IUPAC name is 1-(1,1-difluoroethoxy)-2-fluoropropane.

Molecular Properties

Compound Name1-(1,1-difluoroethoxy)-2-fluoropropane
PubChem CID175617747
Molecular FormulaC5H9F3O
Molecular Weight142.12 g/mol
Exact Mass142.06
IUPAC Name1-(1,1-difluoroethoxy)-2-fluoropropane
SMILESCC(F)COC(C)(F)F
InChIInChI=1S/C5H9F3O/c1-4(6)3-9-5(2,7)8/h4H,3H2,1-2H3
InChIKeyDJCITFNNOGIVMW-UHFFFAOYSA-N
XLogP1.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1,1-difluoroethoxy)-4-fluoro-2-(fluoromethyl)butane
CID 162589961
tert-butyl-[(2S)-2-fluoropropoxy]-dimethylsilane
CID 141238974
1,1,1,2-tetrafluoro-2-(2,3,3,3-tetrafluoropropoxy)propane
CID 23529534
1-(1,1-difluoroethoxy)-2-methylpropane;bis(2,3-dimethylbutane);(3S)-2,3-dimethylpentane;(3R)-2,3-dimethylpentane;1-(1-fluoroethoxy)-2-methylpropane;2-methylbutane;2,2,3-trimethylbutane
CID 163727573
1,1-difluoro-1-(2-fluoroethoxy)ethane
CID 20789479
2-fluoropropane;methoxymethane;propane;1,1,1-trifluoroethane
CID 165044243
2-(1,1-difluoroethoxy)-1,1-difluoropropane
CID 88885550
2-methyl-3-(1,1,2-trifluoropropoxy)propan-1-ol
CID 162612061
1-(2-chloro-1,1,2-trifluoroethoxy)-2-methylpropane
CID 139683226
1-(1,1-difluoroethoxy)but-2-yne
CID 90125016
1,1,1-trifluoroethane;1,1,2-trifluoroethane
CID 157050419
1-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-2-(fluoromethoxy)ethane
CID 58602209

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethoxy)-2-fluoropropane?
The IUPAC name of 1-(1,1-difluoroethoxy)-2-fluoropropane (CID 175617747) is 1-(1,1-difluoroethoxy)-2-fluoropropane.
What is the SMILES notation for 1-(1,1-difluoroethoxy)-2-fluoropropane?
The canonical SMILES for 1-(1,1-difluoroethoxy)-2-fluoropropane is CC(F)COC(C)(F)F.
What is the InChIKey of 1-(1,1-difluoroethoxy)-2-fluoropropane?
The InChIKey is DJCITFNNOGIVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3O/c1-4(6)3-9-5(2,7)8/h4H,3H2,1-2H3.
What are the key properties of 1-(1,1-difluoroethoxy)-2-fluoropropane?
1-(1,1-difluoroethoxy)-2-fluoropropane has a molecular weight of 142.12 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethoxy)-2-fluoropropane is sourced from PubChem (CID 175617747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).