(3-fluoro-1-bicyclo[1.1.1]pentanyl)methanol

C6H9FO — CID 23237089

IUPAC(3-fluoro-1-bicyclo[1.1.1]pentanyl)methanol
SMILESOCC12CC(F)(C1)C2
InChIInChI=1S/C6H9FO/c7-6-1-5(2-6,3-6)4-8/h8H,1-4H2
InChIKeyXDKHOYUFVZFMBS-UHFFFAOYSA-N
MW116.14 g/mol
LogP0.87
Rot. Bonds1

About (3-fluoro-1-bicyclo[1.1.1]pentanyl)methanol

(3-fluoro-1-bicyclo[1.1.1]pentanyl)methanol (PubChem CID 23237089) has the molecular formula C6H9FO and a molecular weight of 116.14 g/mol. Its IUPAC name is (3-fluoro-1-bicyclo[1.1.1]pentanyl)methanol.

Molecular Properties

Compound Name(3-fluoro-1-bicyclo[1.1.1]pentanyl)methanol
PubChem CID23237089
Molecular FormulaC6H9FO
Molecular Weight116.14 g/mol
Exact Mass116.06
IUPAC Name(3-fluoro-1-bicyclo[1.1.1]pentanyl)methanol
SMILESOCC12CC(F)(C1)C2
InChIInChI=1S/C6H9FO/c7-6-1-5(2-6,3-6)4-8/h8H,1-4H2
InChIKeyXDKHOYUFVZFMBS-UHFFFAOYSA-N
XLogP0.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-1-bicyclo[1.1.1]pentanyl)methanol?
The IUPAC name of (3-fluoro-1-bicyclo[1.1.1]pentanyl)methanol (CID 23237089) is (3-fluoro-1-bicyclo[1.1.1]pentanyl)methanol.
What is the SMILES notation for (3-fluoro-1-bicyclo[1.1.1]pentanyl)methanol?
The canonical SMILES for (3-fluoro-1-bicyclo[1.1.1]pentanyl)methanol is OCC12CC(F)(C1)C2.
What is the InChIKey of (3-fluoro-1-bicyclo[1.1.1]pentanyl)methanol?
The InChIKey is XDKHOYUFVZFMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO/c7-6-1-5(2-6,3-6)4-8/h8H,1-4H2.
What are the key properties of (3-fluoro-1-bicyclo[1.1.1]pentanyl)methanol?
(3-fluoro-1-bicyclo[1.1.1]pentanyl)methanol has a molecular weight of 116.14 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-1-bicyclo[1.1.1]pentanyl)methanol is sourced from PubChem (CID 23237089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).