1,1-difluoro-1-(3-fluoropropoxy)butane;difluoromethane;fluoromethane

C9H18F6O — CID 54474748

IUPAC1,1-difluoro-1-(3-fluoropropoxy)butane;difluoromethane;fluoromethane
SMILESCCCC(F)(F)OCCCF.CF.FCF
InChIInChI=1S/C7H13F3O.CH2F2.CH3F/c1-2-4-7(9,10)11-6-3-5-8;2-1-3;1-2/h2-6H2,1H3;1H2;1H3
InChIKeyXKTXRTHCFFBFNX-UHFFFAOYSA-N
MW256.23 g/mol
LogP4.22
Rot. Bonds6

About 1,1-difluoro-1-(3-fluoropropoxy)butane;difluoromethane;fluoromethane

1,1-difluoro-1-(3-fluoropropoxy)butane;difluoromethane;fluoromethane (PubChem CID 54474748) has the molecular formula C9H18F6O and a molecular weight of 256.23 g/mol. Its IUPAC name is 1,1-difluoro-1-(3-fluoropropoxy)butane;difluoromethane;fluoromethane.

Molecular Properties

Compound Name1,1-difluoro-1-(3-fluoropropoxy)butane;difluoromethane;fluoromethane
PubChem CID54474748
Molecular FormulaC9H18F6O
Molecular Weight256.23 g/mol
Exact Mass256.13
IUPAC Name1,1-difluoro-1-(3-fluoropropoxy)butane;difluoromethane;fluoromethane
SMILESCCCC(F)(F)OCCCF.CF.FCF
InChIInChI=1S/C7H13F3O.CH2F2.CH3F/c1-2-4-7(9,10)11-6-3-5-8;2-1-3;1-2/h2-6H2,1H3;1H2;1H3
InChIKeyXKTXRTHCFFBFNX-UHFFFAOYSA-N
XLogP4.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 54.22
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

Ethoxynonafluorobutane
CID 206000
n-Butyl 1,1,2,2-tetrafluoroethyl ether
CID 9659
Hydrofluoric acid, compd. with 1,1'-oxybis(butane) (2:1)
CID 173019
1,1,1,2,2,3,3-Heptafluoro-4-(2,2,3,3,4,4,4-heptafluorobutoxy)butane
CID 22646028
1,1,1,2,2,3,3,4,4-Nonafluoro-4-propoxybutane
CID 22670037
4-(1,1-Difluoroethoxy)-1,1,1,2,2,3,3-heptafluorobutane
CID 75360834
Ether, bis(4-fluorobutyl)
CID 11632
Propyl 1,1,2,2-tetrafluoroethyl ether
CID 22005454
1-Ethoxy-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane--1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane (1/1)
CID 118797041
Decafluoro-di-n-pentylether
CID 11688646
1-(2,2,3,3-Tetrafluoropropyloxy)-3-methylbutane
CID 129766049
Butyl 2,2-difluoropropyl ether
CID 15062441

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-1-(3-fluoropropoxy)butane;difluoromethane;fluoromethane?
The IUPAC name of 1,1-difluoro-1-(3-fluoropropoxy)butane;difluoromethane;fluoromethane (CID 54474748) is 1,1-difluoro-1-(3-fluoropropoxy)butane;difluoromethane;fluoromethane.
What is the SMILES notation for 1,1-difluoro-1-(3-fluoropropoxy)butane;difluoromethane;fluoromethane?
The canonical SMILES for 1,1-difluoro-1-(3-fluoropropoxy)butane;difluoromethane;fluoromethane is CCCC(F)(F)OCCCF.CF.FCF.
What is the InChIKey of 1,1-difluoro-1-(3-fluoropropoxy)butane;difluoromethane;fluoromethane?
The InChIKey is XKTXRTHCFFBFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3O.CH2F2.CH3F/c1-2-4-7(9,10)11-6-3-5-8;2-1-3;1-2/h2-6H2,1H3;1H2;1H3.
What are the key properties of 1,1-difluoro-1-(3-fluoropropoxy)butane;difluoromethane;fluoromethane?
1,1-difluoro-1-(3-fluoropropoxy)butane;difluoromethane;fluoromethane has a molecular weight of 256.23 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-(3-fluoropropoxy)butane;difluoromethane;fluoromethane is sourced from PubChem (CID 54474748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).