(2R)-2-(1-adamantyl)-2-fluoroethanol

C12H19FO — CID 11159935

IUPAC(2R)-2-(1-adamantyl)-2-fluoroethanol
SMILESOC[C@H](F)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H19FO/c13-11(7-14)12-4-8-1-9(5-12)3-10(2-8)6-12/h8-11,14H,1-7H2/t8?,9?,10?,11-,12?/m0/s1
InChIKeyUCHBEFXRWHTQSD-CRCJWISWSA-N
MW198.28 g/mol
LogP2.53
Rot. Bonds2

About (2R)-2-(1-adamantyl)-2-fluoroethanol

(2R)-2-(1-adamantyl)-2-fluoroethanol (PubChem CID 11159935) has the molecular formula C12H19FO and a molecular weight of 198.28 g/mol. Its IUPAC name is (2R)-2-(1-adamantyl)-2-fluoroethanol.

Molecular Properties

Compound Name(2R)-2-(1-adamantyl)-2-fluoroethanol
PubChem CID11159935
Molecular FormulaC12H19FO
Molecular Weight198.28 g/mol
Exact Mass198.14
IUPAC Name(2R)-2-(1-adamantyl)-2-fluoroethanol
SMILESOC[C@H](F)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H19FO/c13-11(7-14)12-4-8-1-9(5-12)3-10(2-8)6-12/h8-11,14H,1-7H2/t8?,9?,10?,11-,12?/m0/s1
InChIKeyUCHBEFXRWHTQSD-CRCJWISWSA-N
XLogP2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2R)-2-(1-adamantyl)-2-fluoroethanol 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

Tricyclo(3.3.1.1'3,7)dec-1-ylmethanol
CID 64556
2-(Tricyclo(3.3.1.1'3,7)dec-1-yl)ethanol
CID 110810
1,3-Adamantanedimethanol
CID 703011
3,5-Dimethyl-1-adamantanemethanol
CID 4050097
2-Adamantanemethanol
CID 13291731
(1S)-1-(adamantan-1-yl)ethan-1-ol
CID 7058341
{Bicyclo[2.2.2]octan-1-yl}methanol
CID 13245694
2-(1-Adamantyl)propanol
CID 64286
1-(1-Adamantyl)propan-1-ol
CID 584510
3-(Hydroxymethyl)adamantan-1-ol
CID 12070475
1-(1-Adamantyl)ethanol
CID 2769713
2,2'-(Adamantane-1,3-diyl)diethanol
CID 2829880

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-adamantyl)-2-fluoroethanol?
The IUPAC name of (2R)-2-(1-adamantyl)-2-fluoroethanol (CID 11159935) is (2R)-2-(1-adamantyl)-2-fluoroethanol.
What is the SMILES notation for (2R)-2-(1-adamantyl)-2-fluoroethanol?
The canonical SMILES for (2R)-2-(1-adamantyl)-2-fluoroethanol is OC[C@H](F)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (2R)-2-(1-adamantyl)-2-fluoroethanol?
The InChIKey is UCHBEFXRWHTQSD-CRCJWISWSA-N. The full InChI is InChI=1S/C12H19FO/c13-11(7-14)12-4-8-1-9(5-12)3-10(2-8)6-12/h8-11,14H,1-7H2/t8?,9?,10?,11-,12?/m0/s1.
What are the key properties of (2R)-2-(1-adamantyl)-2-fluoroethanol?
(2R)-2-(1-adamantyl)-2-fluoroethanol has a molecular weight of 198.28 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-adamantyl)-2-fluoroethanol is sourced from PubChem (CID 11159935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).