2-(cyclobutylmethyl)-4-fluorooxane

C10H17FO — CID 130286868

IUPAC2-(cyclobutylmethyl)-4-fluorooxane
SMILESFC1CCOC(CC2CCC2)C1
InChIInChI=1S/C10H17FO/c11-9-4-5-12-10(7-9)6-8-2-1-3-8/h8-10H,1-7H2
InChIKeyVSTYUAKITSRUFM-UHFFFAOYSA-N
MW172.24 g/mol
LogP2.69
Rot. Bonds2

About 2-(cyclobutylmethyl)-4-fluorooxane

2-(cyclobutylmethyl)-4-fluorooxane (PubChem CID 130286868) has the molecular formula C10H17FO and a molecular weight of 172.24 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-4-fluorooxane.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-4-fluorooxane
PubChem CID130286868
Molecular FormulaC10H17FO
Molecular Weight172.24 g/mol
Exact Mass172.13
IUPAC Name2-(cyclobutylmethyl)-4-fluorooxane
SMILESFC1CCOC(CC2CCC2)C1
InChIInChI=1S/C10H17FO/c11-9-4-5-12-10(7-9)6-8-2-1-3-8/h8-10H,1-7H2
InChIKeyVSTYUAKITSRUFM-UHFFFAOYSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.24
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-4-fluorooxane?
The IUPAC name of 2-(cyclobutylmethyl)-4-fluorooxane (CID 130286868) is 2-(cyclobutylmethyl)-4-fluorooxane.
What is the SMILES notation for 2-(cyclobutylmethyl)-4-fluorooxane?
The canonical SMILES for 2-(cyclobutylmethyl)-4-fluorooxane is FC1CCOC(CC2CCC2)C1.
What is the InChIKey of 2-(cyclobutylmethyl)-4-fluorooxane?
The InChIKey is VSTYUAKITSRUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO/c11-9-4-5-12-10(7-9)6-8-2-1-3-8/h8-10H,1-7H2.
What are the key properties of 2-(cyclobutylmethyl)-4-fluorooxane?
2-(cyclobutylmethyl)-4-fluorooxane has a molecular weight of 172.24 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-4-fluorooxane is sourced from PubChem (CID 130286868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).