1-ethoxy-2-fluorobutane

C6H13FO — CID 54236685

IUPAC1-ethoxy-2-fluorobutane
SMILESCCOCC(F)CC
InChIInChI=1S/C6H13FO/c1-3-6(7)5-8-4-2/h6H,3-5H2,1-2H3
InChIKeyXVKCPEQQNOMXIA-UHFFFAOYSA-N
MW120.17 g/mol
LogP1.77
Rot. Bonds4

About 1-ethoxy-2-fluorobutane

1-ethoxy-2-fluorobutane (PubChem CID 54236685) has the molecular formula C6H13FO and a molecular weight of 120.17 g/mol. Its IUPAC name is 1-ethoxy-2-fluorobutane.

Molecular Properties

Compound Name1-ethoxy-2-fluorobutane
PubChem CID54236685
Molecular FormulaC6H13FO
Molecular Weight120.17 g/mol
Exact Mass120.10
IUPAC Name1-ethoxy-2-fluorobutane
SMILESCCOCC(F)CC
InChIInChI=1S/C6H13FO/c1-3-6(7)5-8-4-2/h6H,3-5H2,1-2H3
InChIKeyXVKCPEQQNOMXIA-UHFFFAOYSA-N
XLogP1.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Ethyl butyl ether
CID 12355
n-Butyl 1,1,2,2-tetrafluoroethyl ether
CID 9659
1-Propoxybutane
CID 137814
1-Fluoro-5-methoxypentane
CID 9770
Fluorobutyl methyl ether
CID 20582799
Fluorodiethyl ether
CID 21616970
1-(Difluoromethoxy)butane
CID 23221702
Bis(3-fluoropropyl)ether
CID 56776417
4-Fluoro-1-methoxypentane
CID 154716146
2-Fluoro-1-methoxypropane
CID 12700780
2-Fluoro-1-methoxybutane
CID 12700781
Butyl 2,2-difluoropropyl ether
CID 15062441

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-fluorobutane?
The IUPAC name of 1-ethoxy-2-fluorobutane (CID 54236685) is 1-ethoxy-2-fluorobutane.
What is the SMILES notation for 1-ethoxy-2-fluorobutane?
The canonical SMILES for 1-ethoxy-2-fluorobutane is CCOCC(F)CC.
What is the InChIKey of 1-ethoxy-2-fluorobutane?
The InChIKey is XVKCPEQQNOMXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO/c1-3-6(7)5-8-4-2/h6H,3-5H2,1-2H3.
What are the key properties of 1-ethoxy-2-fluorobutane?
1-ethoxy-2-fluorobutane has a molecular weight of 120.17 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-fluorobutane is sourced from PubChem (CID 54236685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).