(9-fluoro-3-bicyclo[3.3.1]nonanyl)methanol

C10H17FO — CID 119053671

IUPAC(9-fluoro-3-bicyclo[3.3.1]nonanyl)methanol
SMILESOCC1CC2CCCC(C1)C2F
InChIInChI=1S/C10H17FO/c11-10-8-2-1-3-9(10)5-7(4-8)6-12/h7-10,12H,1-6H2
InChIKeySNKXHVKJZOJGAA-UHFFFAOYSA-N
MW172.24 g/mol
LogP2.14
Rot. Bonds1

About (9-fluoro-3-bicyclo[3.3.1]nonanyl)methanol

(9-fluoro-3-bicyclo[3.3.1]nonanyl)methanol (PubChem CID 119053671) has the molecular formula C10H17FO and a molecular weight of 172.24 g/mol. Its IUPAC name is (9-fluoro-3-bicyclo[3.3.1]nonanyl)methanol.

Molecular Properties

Compound Name(9-fluoro-3-bicyclo[3.3.1]nonanyl)methanol
PubChem CID119053671
Molecular FormulaC10H17FO
Molecular Weight172.24 g/mol
Exact Mass172.13
IUPAC Name(9-fluoro-3-bicyclo[3.3.1]nonanyl)methanol
SMILESOCC1CC2CCCC(C1)C2F
InChIInChI=1S/C10H17FO/c11-10-8-2-1-3-9(10)5-7(4-8)6-12/h7-10,12H,1-6H2
InChIKeySNKXHVKJZOJGAA-UHFFFAOYSA-N
XLogP2.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (9-fluoro-3-bicyclo[3.3.1]nonanyl)methanol?
The IUPAC name of (9-fluoro-3-bicyclo[3.3.1]nonanyl)methanol (CID 119053671) is (9-fluoro-3-bicyclo[3.3.1]nonanyl)methanol.
What is the SMILES notation for (9-fluoro-3-bicyclo[3.3.1]nonanyl)methanol?
The canonical SMILES for (9-fluoro-3-bicyclo[3.3.1]nonanyl)methanol is OCC1CC2CCCC(C1)C2F.
What is the InChIKey of (9-fluoro-3-bicyclo[3.3.1]nonanyl)methanol?
The InChIKey is SNKXHVKJZOJGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO/c11-10-8-2-1-3-9(10)5-7(4-8)6-12/h7-10,12H,1-6H2.
What are the key properties of (9-fluoro-3-bicyclo[3.3.1]nonanyl)methanol?
(9-fluoro-3-bicyclo[3.3.1]nonanyl)methanol has a molecular weight of 172.24 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9-fluoro-3-bicyclo[3.3.1]nonanyl)methanol is sourced from PubChem (CID 119053671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).