3-(2-fluoro-2-methylbutyl)adamantan-1-ol

C15H25FO — CID 58761451

IUPAC3-(2-fluoro-2-methylbutyl)adamantan-1-ol
SMILESCCC(C)(F)CC12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C15H25FO/c1-3-13(2,16)9-14-5-11-4-12(6-14)8-15(17,7-11)10-14/h11-12,17H,3-10H2,1-2H3
InChIKeyUMDIRDHSGLCWCF-UHFFFAOYSA-N
MW240.36 g/mol
LogP3.85
Rot. Bonds3

About 3-(2-fluoro-2-methylbutyl)adamantan-1-ol

3-(2-fluoro-2-methylbutyl)adamantan-1-ol (PubChem CID 58761451) has the molecular formula C15H25FO and a molecular weight of 240.36 g/mol. Its IUPAC name is 3-(2-fluoro-2-methylbutyl)adamantan-1-ol.

Molecular Properties

Compound Name3-(2-fluoro-2-methylbutyl)adamantan-1-ol
PubChem CID58761451
Molecular FormulaC15H25FO
Molecular Weight240.36 g/mol
Exact Mass240.19
IUPAC Name3-(2-fluoro-2-methylbutyl)adamantan-1-ol
SMILESCCC(C)(F)CC12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C15H25FO/c1-3-13(2,16)9-14-5-11-4-12(6-14)8-15(17,7-11)10-14/h11-12,17H,3-10H2,1-2H3
InChIKeyUMDIRDHSGLCWCF-UHFFFAOYSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5S,7R)-3-propyladamantan-1-ol
CID 1225075
(3-hydroxy-1-adamantyl)methyl 2-methyl-2-(trifluoromethyl)butanoate
CID 59229019
3-butyladamantan-1-ol
CID 71257981
(3-hydroxy-1-adamantyl)methyl 2-iodo-2-methylbutanoate
CID 129121521
2-fluoro-N-(3-hydroxy-1-adamantyl)-2-methylbutanamide
CID 21063620
3-tert-butyladamantan-1-ol
CID 59863856
N-[2-(tert-butylamino)-2-oxoethyl]-2-(3-hydroxy-1-adamantyl)acetamide
CID 24550355
(3-hydroxy-1-adamantyl)methyl 2,2-difluoro-2-methoxysulfonylacetate
CID 118358659
difluoro-[(3-hydroxy-1-adamantyl)methoxy]methanesulfonic acid
CID 123877041
(5S,7R)-3-prop-2-enyladamantan-1-ol
CID 102058393
1,1-difluoro-2-[[(5S,7R)-3-hydroxy-1-adamantyl]methoxy]-2-oxoethanesulfonate
CID 102054937
(3-hydroxy-1-adamantyl)methyl 4-(2,2-difluoropropanoyloxy)-3-oxobutanoate
CID 69474536

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-2-methylbutyl)adamantan-1-ol?
The IUPAC name of 3-(2-fluoro-2-methylbutyl)adamantan-1-ol (CID 58761451) is 3-(2-fluoro-2-methylbutyl)adamantan-1-ol.
What is the SMILES notation for 3-(2-fluoro-2-methylbutyl)adamantan-1-ol?
The canonical SMILES for 3-(2-fluoro-2-methylbutyl)adamantan-1-ol is CCC(C)(F)CC12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of 3-(2-fluoro-2-methylbutyl)adamantan-1-ol?
The InChIKey is UMDIRDHSGLCWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FO/c1-3-13(2,16)9-14-5-11-4-12(6-14)8-15(17,7-11)10-14/h11-12,17H,3-10H2,1-2H3.
What are the key properties of 3-(2-fluoro-2-methylbutyl)adamantan-1-ol?
3-(2-fluoro-2-methylbutyl)adamantan-1-ol has a molecular weight of 240.36 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-2-methylbutyl)adamantan-1-ol is sourced from PubChem (CID 58761451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).