1-[2-(2,2-difluoropropoxy)ethoxy]-3,3-difluorobutane

C9H16F4O2 — CID 175614014

IUPAC1-[2-(2,2-difluoropropoxy)ethoxy]-3,3-difluorobutane
SMILESCC(F)(F)CCOCCOCC(C)(F)F
InChIInChI=1S/C9H16F4O2/c1-8(10,11)3-4-14-5-6-15-7-9(2,12)13/h3-7H2,1-2H3
InChIKeyWTXKYBNAGOMBNN-UHFFFAOYSA-N
MW232.22 g/mol
LogP2.72
Rot. Bonds8

About 1-[2-(2,2-difluoropropoxy)ethoxy]-3,3-difluorobutane

1-[2-(2,2-difluoropropoxy)ethoxy]-3,3-difluorobutane (PubChem CID 175614014) has the molecular formula C9H16F4O2 and a molecular weight of 232.22 g/mol. Its IUPAC name is 1-[2-(2,2-difluoropropoxy)ethoxy]-3,3-difluorobutane.

Molecular Properties

Compound Name1-[2-(2,2-difluoropropoxy)ethoxy]-3,3-difluorobutane
PubChem CID175614014
Molecular FormulaC9H16F4O2
Molecular Weight232.22 g/mol
Exact Mass232.11
IUPAC Name1-[2-(2,2-difluoropropoxy)ethoxy]-3,3-difluorobutane
SMILESCC(F)(F)CCOCCOCC(C)(F)F
InChIInChI=1S/C9H16F4O2/c1-8(10,11)3-4-14-5-6-15-7-9(2,12)13/h3-7H2,1-2H3
InChIKeyWTXKYBNAGOMBNN-UHFFFAOYSA-N
XLogP2.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoro-1-[2-(2,2,2-trifluoroethoxy)ethoxy]propane
CID 175613997
3,3-difluoro-1-propoxybutane
CID 118261285
1-(2,2-difluoropropoxy)-2,2-difluoropropane
CID 142789331
1-butoxy-3,3-difluorobutane
CID 175614029
1-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
CID 153439578
1-(3,3-dimethylbutoxy)-17,17-difluorooctadecane
CID 126578389
1-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
CID 131972620
1,1,1-trifluoro-2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethane
CID 87282326
1-[2-(2-fluoroethoxy)ethoxy]-3,3-dimethylbutane
CID 58160227
3-(chloromethyl)-3-methyl-1-(2,2,2-trifluoroethoxy)pentane
CID 66036764
2-(3,3-difluorobutoxymethyl)azetidine
CID 84656869
methyl N-[[2-(2,2-difluoropropoxy)ethoxycarbonylamino]methyl]carbamate
CID 91196206

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-difluoropropoxy)ethoxy]-3,3-difluorobutane?
The IUPAC name of 1-[2-(2,2-difluoropropoxy)ethoxy]-3,3-difluorobutane (CID 175614014) is 1-[2-(2,2-difluoropropoxy)ethoxy]-3,3-difluorobutane.
What is the SMILES notation for 1-[2-(2,2-difluoropropoxy)ethoxy]-3,3-difluorobutane?
The canonical SMILES for 1-[2-(2,2-difluoropropoxy)ethoxy]-3,3-difluorobutane is CC(F)(F)CCOCCOCC(C)(F)F.
What is the InChIKey of 1-[2-(2,2-difluoropropoxy)ethoxy]-3,3-difluorobutane?
The InChIKey is WTXKYBNAGOMBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F4O2/c1-8(10,11)3-4-14-5-6-15-7-9(2,12)13/h3-7H2,1-2H3.
What are the key properties of 1-[2-(2,2-difluoropropoxy)ethoxy]-3,3-difluorobutane?
1-[2-(2,2-difluoropropoxy)ethoxy]-3,3-difluorobutane has a molecular weight of 232.22 g/mol, XLogP of 2.72, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-difluoropropoxy)ethoxy]-3,3-difluorobutane is sourced from PubChem (CID 175614014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).