(3-fluorocyclobutyl)methanol

C5H9FO — CID 53414500

IUPAC(3-fluorocyclobutyl)methanol
SMILESOCC1CC(F)C1
InChIInChI=1S/C5H9FO/c6-5-1-4(2-5)3-7/h4-5,7H,1-3H2
InChIKeyFVQRBAHVLBOJNL-UHFFFAOYSA-N
MW104.12 g/mol
LogP0.73
Rot. Bonds1

About (3-fluorocyclobutyl)methanol

(3-fluorocyclobutyl)methanol (PubChem CID 53414500) has the molecular formula C5H9FO and a molecular weight of 104.12 g/mol. Its IUPAC name is (3-fluorocyclobutyl)methanol.

Molecular Properties

Compound Name(3-fluorocyclobutyl)methanol
PubChem CID53414500
Molecular FormulaC5H9FO
Molecular Weight104.12 g/mol
Exact Mass104.06
IUPAC Name(3-fluorocyclobutyl)methanol
SMILESOCC1CC(F)C1
InChIInChI=1S/C5H9FO/c6-5-1-4(2-5)3-7/h4-5,7H,1-3H2
InChIKeyFVQRBAHVLBOJNL-UHFFFAOYSA-N
XLogP0.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.12
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-fluorocyclobutyl)methanol?
The IUPAC name of (3-fluorocyclobutyl)methanol (CID 53414500) is (3-fluorocyclobutyl)methanol.
What is the SMILES notation for (3-fluorocyclobutyl)methanol?
The canonical SMILES for (3-fluorocyclobutyl)methanol is OCC1CC(F)C1.
What is the InChIKey of (3-fluorocyclobutyl)methanol?
The InChIKey is FVQRBAHVLBOJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO/c6-5-1-4(2-5)3-7/h4-5,7H,1-3H2.
What are the key properties of (3-fluorocyclobutyl)methanol?
(3-fluorocyclobutyl)methanol has a molecular weight of 104.12 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorocyclobutyl)methanol is sourced from PubChem (CID 53414500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).