3-(2,2-difluoroethoxy)-1,1,1-trifluoropropane

C5H7F5O — CID 126707171

IUPAC3-(2,2-difluoroethoxy)-1,1,1-trifluoropropane
SMILESFC(F)COCCC(F)(F)F
InChIInChI=1S/C5H7F5O/c6-4(7)3-11-2-1-5(8,9)10/h4H,1-3H2
InChIKeyUJCXMXPTCVCYQH-UHFFFAOYSA-N
MW178.10 g/mol
LogP2.22
Rot. Bonds4

About 3-(2,2-difluoroethoxy)-1,1,1-trifluoropropane

3-(2,2-difluoroethoxy)-1,1,1-trifluoropropane (PubChem CID 126707171) has the molecular formula C5H7F5O and a molecular weight of 178.10 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1,1,1-trifluoropropane.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1,1,1-trifluoropropane
PubChem CID126707171
Molecular FormulaC5H7F5O
Molecular Weight178.10 g/mol
Exact Mass178.04
IUPAC Name3-(2,2-difluoroethoxy)-1,1,1-trifluoropropane
SMILESFC(F)COCCC(F)(F)F
InChIInChI=1S/C5H7F5O/c6-4(7)3-11-2-1-5(8,9)10/h4H,1-3H2
InChIKeyUJCXMXPTCVCYQH-UHFFFAOYSA-N
XLogP2.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.10
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-(2,2-difluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,1-difluoroethane
CID 170162541
4-(2,2-difluoroethoxy)-2,2-dimethylbutan-1-amine
CID 82003924
1-bromo-3,3-dimethyl-2-(3,3,3-trifluoropropoxymethyl)butane
CID 82955428
1,1,2,2-tetrafluoro-4-(3,3,4,4-tetrafluorobutoxy)butane
CID 87136906
N-ethyl-1-(3,3,3-trifluoropropoxy)butan-2-amine
CID 82955028
1-cyclopentyl-2-(3,3,3-trifluoropropoxy)ethanol
CID 104753766
1-cyclopentyl-2-(3,3,3-trifluoropropoxy)ethanamine
CID 104749713
2-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)propanoic acid
CID 82956739
3-(2,2-difluoroethoxy)-1,1,1,2,2-pentafluoropropane
CID 174988220
4-(2,2-difluoroethoxy)-2-methyl-2-(methylamino)butanoic acid
CID 82005976
3-(2,2-difluoroethoxy)propan-1-amine;hydrochloride
CID 71756154
4-(2,2-difluoroethoxy)butane-1-thiol
CID 82010283

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1,1,1-trifluoropropane?
The IUPAC name of 3-(2,2-difluoroethoxy)-1,1,1-trifluoropropane (CID 126707171) is 3-(2,2-difluoroethoxy)-1,1,1-trifluoropropane.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1,1,1-trifluoropropane?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1,1,1-trifluoropropane is FC(F)COCCC(F)(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1,1,1-trifluoropropane?
The InChIKey is UJCXMXPTCVCYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F5O/c6-4(7)3-11-2-1-5(8,9)10/h4H,1-3H2.
What are the key properties of 3-(2,2-difluoroethoxy)-1,1,1-trifluoropropane?
3-(2,2-difluoroethoxy)-1,1,1-trifluoropropane has a molecular weight of 178.10 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1,1,1-trifluoropropane is sourced from PubChem (CID 126707171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).