1-[2-(2-fluoroethoxy)ethoxy]-3,3-dimethylbutane

C10H21FO2 — CID 58160227

IUPAC1-[2-(2-fluoroethoxy)ethoxy]-3,3-dimethylbutane
SMILESCC(C)(C)CCOCCOCCF
InChIInChI=1S/C10H21FO2/c1-10(2,3)4-6-12-8-9-13-7-5-11/h4-9H2,1-3H3
InChIKeyKBONFGZGOODOAM-UHFFFAOYSA-N
MW192.27 g/mol
LogP2.43
Rot. Bonds7

About 1-[2-(2-fluoroethoxy)ethoxy]-3,3-dimethylbutane

1-[2-(2-fluoroethoxy)ethoxy]-3,3-dimethylbutane (PubChem CID 58160227) has the molecular formula C10H21FO2 and a molecular weight of 192.27 g/mol. Its IUPAC name is 1-[2-(2-fluoroethoxy)ethoxy]-3,3-dimethylbutane.

Molecular Properties

Compound Name1-[2-(2-fluoroethoxy)ethoxy]-3,3-dimethylbutane
PubChem CID58160227
Molecular FormulaC10H21FO2
Molecular Weight192.27 g/mol
Exact Mass192.15
IUPAC Name1-[2-(2-fluoroethoxy)ethoxy]-3,3-dimethylbutane
SMILESCC(C)(C)CCOCCOCCF
InChIInChI=1S/C10H21FO2/c1-10(2,3)4-6-12-8-9-13-7-5-11/h4-9H2,1-3H3
InChIKeyKBONFGZGOODOAM-UHFFFAOYSA-N
XLogP2.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 52.43
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

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-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
CID 131972620
3,3-dimethyl-1-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 153436884
2,2-dimethylpentane;3,3-dimethyl-1-propoxybutane;3,3-dimethyl-1-(2-propoxyethoxy)butane
CID 161233705
1-[2-[3-(2,2-dimethylpropoxy)propoxy]ethoxy]-3,3-dimethylbutane
CID 176614157
3,3-dimethyl-1-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butane
CID 167646530
1-[2-[2-(3,3-dimethylbutoxy)ethyldisulfanyl]ethoxy]-3,3-dimethylbutane
CID 89088129
1-(3,3-dimethylbutoxy)-2-methylpropan-2-amine
CID 64537370
1-(3,3-dimethylbutoxy)-17,17-difluorooctadecane
CID 126578389
1-[2-(3,3-dimethylbutoxy)ethoxy]propan-2-one
CID 157295783
1-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one
CID 162486485
N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]propan-2-amine
CID 126671623

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoroethoxy)ethoxy]-3,3-dimethylbutane?
The IUPAC name of 1-[2-(2-fluoroethoxy)ethoxy]-3,3-dimethylbutane (CID 58160227) is 1-[2-(2-fluoroethoxy)ethoxy]-3,3-dimethylbutane.
What is the SMILES notation for 1-[2-(2-fluoroethoxy)ethoxy]-3,3-dimethylbutane?
The canonical SMILES for 1-[2-(2-fluoroethoxy)ethoxy]-3,3-dimethylbutane is CC(C)(C)CCOCCOCCF.
What is the InChIKey of 1-[2-(2-fluoroethoxy)ethoxy]-3,3-dimethylbutane?
The InChIKey is KBONFGZGOODOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FO2/c1-10(2,3)4-6-12-8-9-13-7-5-11/h4-9H2,1-3H3.
What are the key properties of 1-[2-(2-fluoroethoxy)ethoxy]-3,3-dimethylbutane?
1-[2-(2-fluoroethoxy)ethoxy]-3,3-dimethylbutane has a molecular weight of 192.27 g/mol, XLogP of 2.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoroethoxy)ethoxy]-3,3-dimethylbutane is sourced from PubChem (CID 58160227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).