1-(2-fluoroethoxy)-3-propan-2-ylcyclobutane

C9H17FO — CID 171796266

IUPAC1-(2-fluoroethoxy)-3-propan-2-ylcyclobutane
SMILESCC(C)C1CC(OCCF)C1
InChIInChI=1S/C9H17FO/c1-7(2)8-5-9(6-8)11-4-3-10/h7-9H,3-6H2,1-2H3
InChIKeyDKIBLDHGVLWVMK-UHFFFAOYSA-N
MW160.23 g/mol
LogP2.41
Rot. Bonds4

About 1-(2-fluoroethoxy)-3-propan-2-ylcyclobutane

1-(2-fluoroethoxy)-3-propan-2-ylcyclobutane (PubChem CID 171796266) has the molecular formula C9H17FO and a molecular weight of 160.23 g/mol. Its IUPAC name is 1-(2-fluoroethoxy)-3-propan-2-ylcyclobutane.

Molecular Properties

Compound Name1-(2-fluoroethoxy)-3-propan-2-ylcyclobutane
PubChem CID171796266
Molecular FormulaC9H17FO
Molecular Weight160.23 g/mol
Exact Mass160.13
IUPAC Name1-(2-fluoroethoxy)-3-propan-2-ylcyclobutane
SMILESCC(C)C1CC(OCCF)C1
InChIInChI=1S/C9H17FO/c1-7(2)8-5-9(6-8)11-4-3-10/h7-9H,3-6H2,1-2H3
InChIKeyDKIBLDHGVLWVMK-UHFFFAOYSA-N
XLogP2.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.23
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethoxy)-3-propan-2-ylcyclobutane?
The IUPAC name of 1-(2-fluoroethoxy)-3-propan-2-ylcyclobutane (CID 171796266) is 1-(2-fluoroethoxy)-3-propan-2-ylcyclobutane.
What is the SMILES notation for 1-(2-fluoroethoxy)-3-propan-2-ylcyclobutane?
The canonical SMILES for 1-(2-fluoroethoxy)-3-propan-2-ylcyclobutane is CC(C)C1CC(OCCF)C1.
What is the InChIKey of 1-(2-fluoroethoxy)-3-propan-2-ylcyclobutane?
The InChIKey is DKIBLDHGVLWVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FO/c1-7(2)8-5-9(6-8)11-4-3-10/h7-9H,3-6H2,1-2H3.
What are the key properties of 1-(2-fluoroethoxy)-3-propan-2-ylcyclobutane?
1-(2-fluoroethoxy)-3-propan-2-ylcyclobutane has a molecular weight of 160.23 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethoxy)-3-propan-2-ylcyclobutane is sourced from PubChem (CID 171796266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).