(3,5,7-trifluoro-1-adamantyl)methanol

C11H15F3O — CID 57406555

IUPAC(3,5,7-trifluoro-1-adamantyl)methanol
SMILESOCC12CC3(F)CC(F)(CC(F)(C3)C1)C2
InChIInChI=1S/C11H15F3O/c12-9-1-8(7-15)2-10(13,4-9)6-11(14,3-8)5-9/h15H,1-7H2
InChIKeyWKFIZEDOGJDNAY-UHFFFAOYSA-N
MW220.23 g/mol
LogP2.47
Rot. Bonds1

About (3,5,7-trifluoro-1-adamantyl)methanol

(3,5,7-trifluoro-1-adamantyl)methanol (PubChem CID 57406555) has the molecular formula C11H15F3O and a molecular weight of 220.23 g/mol. Its IUPAC name is (3,5,7-trifluoro-1-adamantyl)methanol.

Molecular Properties

Compound Name(3,5,7-trifluoro-1-adamantyl)methanol
PubChem CID57406555
Molecular FormulaC11H15F3O
Molecular Weight220.23 g/mol
Exact Mass220.11
IUPAC Name(3,5,7-trifluoro-1-adamantyl)methanol
SMILESOCC12CC3(F)CC(F)(CC(F)(C3)C1)C2
InChIInChI=1S/C11H15F3O/c12-9-1-8(7-15)2-10(13,4-9)6-11(14,3-8)5-9/h15H,1-7H2
InChIKeyWKFIZEDOGJDNAY-UHFFFAOYSA-N
XLogP2.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(bromomethyl)-3-fluorobicyclo[1.1.1]pentane
CID 135392819
1,3-difluorobicyclo[1.1.1]pentane
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(4-fluoro-1-bicyclo[2.2.2]octanyl)methanol
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methyl 4-(3-fluoro-1-bicyclo[1.1.1]pentanyl)butanedithioate
CID 167102854
(3-bromo-5,7-dimethyl-1-adamantyl)methanol
CID 86702092
[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]methanol
CID 121207762
1-bromo-3-fluorobicyclo[1.1.1]pentane
CID 15759506
[3-(2,2-dimethylpropyl)-1-bicyclo[1.1.1]pentanyl]methanol
CID 122664511
[(1S)-2,2-difluoro-1-methylcyclopropyl]methanol
CID 92980110
22-(3-fluoro-1-bicyclo[1.1.1]pentanyl)docosanamide
CID 175975620
O-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl] N-aminocarbamothioate
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5-(hydroxymethyl)-7-iodoadamantane-1,3-diol
CID 176847841

Frequently Asked Questions

What is the IUPAC name of (3,5,7-trifluoro-1-adamantyl)methanol?
The IUPAC name of (3,5,7-trifluoro-1-adamantyl)methanol (CID 57406555) is (3,5,7-trifluoro-1-adamantyl)methanol.
What is the SMILES notation for (3,5,7-trifluoro-1-adamantyl)methanol?
The canonical SMILES for (3,5,7-trifluoro-1-adamantyl)methanol is OCC12CC3(F)CC(F)(CC(F)(C3)C1)C2.
What is the InChIKey of (3,5,7-trifluoro-1-adamantyl)methanol?
The InChIKey is WKFIZEDOGJDNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3O/c12-9-1-8(7-15)2-10(13,4-9)6-11(14,3-8)5-9/h15H,1-7H2.
What are the key properties of (3,5,7-trifluoro-1-adamantyl)methanol?
(3,5,7-trifluoro-1-adamantyl)methanol has a molecular weight of 220.23 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5,7-trifluoro-1-adamantyl)methanol is sourced from PubChem (CID 57406555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).