(4-fluoro-1-bicyclo[2.2.2]octanyl)methanol

C9H15FO — CID 86114329

IUPAC(4-fluoro-1-bicyclo[2.2.2]octanyl)methanol
SMILESOCC12CCC(F)(CC1)CC2
InChIInChI=1S/C9H15FO/c10-9-4-1-8(7-11,2-5-9)3-6-9/h11H,1-7H2
InChIKeyWWKUGIQZXDAIDG-UHFFFAOYSA-N
MW158.22 g/mol
LogP2.04
Rot. Bonds1

About (4-fluoro-1-bicyclo[2.2.2]octanyl)methanol

(4-fluoro-1-bicyclo[2.2.2]octanyl)methanol (PubChem CID 86114329) has the molecular formula C9H15FO and a molecular weight of 158.22 g/mol. Its IUPAC name is (4-fluoro-1-bicyclo[2.2.2]octanyl)methanol.

Molecular Properties

Compound Name(4-fluoro-1-bicyclo[2.2.2]octanyl)methanol
PubChem CID86114329
Molecular FormulaC9H15FO
Molecular Weight158.22 g/mol
Exact Mass158.11
IUPAC Name(4-fluoro-1-bicyclo[2.2.2]octanyl)methanol
SMILESOCC12CCC(F)(CC1)CC2
InChIInChI=1S/C9H15FO/c10-9-4-1-8(7-11,2-5-9)3-6-9/h11H,1-7H2
InChIKeyWWKUGIQZXDAIDG-UHFFFAOYSA-N
XLogP2.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4-fluoro-1-bicyclo[2.2.2]octanyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,5,7-trifluoro-1-adamantyl)methanol
CID 57406555
(4-fluoro-1-bicyclo[2.2.2]octanyl)methanamine;2,2,2-trifluoroacetic acid
CID 170902541
1-fluoro-4-propylbicyclo[2.2.2]octane
CID 70295517
O-[(4-fluoro-1-bicyclo[2.2.2]octanyl)methyl] N-aminocarbamothioate
CID 170550779
[4-(propan-2-ylamino)-1-bicyclo[2.2.2]octanyl]methanol
CID 134166319
[(1S)-3,3-difluoro-1-(hydroxymethyl)cyclopentyl] carbamate
CID 155368585
[4-(hydroxymethyl)-1-bicyclo[2.2.1]heptanyl]carbamic acid
CID 67549106
[(2S)-2-fluorooxiran-2-yl]methanol
CID 141069449
[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]methanol
CID 121207762
[(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methanol
CID 6974562
(7-methyl-3,11,14-trithiabicyclo[5.5.5]heptadecan-1-yl)methanol
CID 100992275
[2,2,3,3,5,5,6,6,7,7,8,8-dodecafluoro-4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methanol
CID 12593537

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1-bicyclo[2.2.2]octanyl)methanol?
The IUPAC name of (4-fluoro-1-bicyclo[2.2.2]octanyl)methanol (CID 86114329) is (4-fluoro-1-bicyclo[2.2.2]octanyl)methanol.
What is the SMILES notation for (4-fluoro-1-bicyclo[2.2.2]octanyl)methanol?
The canonical SMILES for (4-fluoro-1-bicyclo[2.2.2]octanyl)methanol is OCC12CCC(F)(CC1)CC2.
What is the InChIKey of (4-fluoro-1-bicyclo[2.2.2]octanyl)methanol?
The InChIKey is WWKUGIQZXDAIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO/c10-9-4-1-8(7-11,2-5-9)3-6-9/h11H,1-7H2.
What are the key properties of (4-fluoro-1-bicyclo[2.2.2]octanyl)methanol?
(4-fluoro-1-bicyclo[2.2.2]octanyl)methanol has a molecular weight of 158.22 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1-bicyclo[2.2.2]octanyl)methanol is sourced from PubChem (CID 86114329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).