2-[(1R,3S)-5-fluoro-2-adamantylidene]ethanol

C12H17FO — CID 10081394

IUPAC2-[(1R,3S)-5-fluoro-2-adamantylidene]ethanol
SMILESOC/C=C1\[C@@H]2CC3C[C@H]1CC(F)(C3)C2
InChIInChI=1S/C12H17FO/c13-12-5-8-3-9(6-12)11(1-2-14)10(4-8)7-12/h1,8-10,14H,2-7H2/b11-1-/t8?,9-,10+,12?/m0/s1
InChIKeyPLTNZDJWTAWKDZ-PQVUUMGISA-N
MW196.26 g/mol
LogP2.45
Rot. Bonds1

About 2-[(1R,3S)-5-fluoro-2-adamantylidene]ethanol

2-[(1R,3S)-5-fluoro-2-adamantylidene]ethanol (PubChem CID 10081394) has the molecular formula C12H17FO and a molecular weight of 196.26 g/mol. Its IUPAC name is 2-[(1R,3S)-5-fluoro-2-adamantylidene]ethanol.

Molecular Properties

Compound Name2-[(1R,3S)-5-fluoro-2-adamantylidene]ethanol
PubChem CID10081394
Molecular FormulaC12H17FO
Molecular Weight196.26 g/mol
Exact Mass196.13
IUPAC Name2-[(1R,3S)-5-fluoro-2-adamantylidene]ethanol
SMILESOC/C=C1\[C@@H]2CC3C[C@H]1CC(F)(C3)C2
InChIInChI=1S/C12H17FO/c13-12-5-8-3-9(6-12)11(1-2-14)10(4-8)7-12/h1,8-10,14H,2-7H2/b11-1-/t8?,9-,10+,12?/m0/s1
InChIKeyPLTNZDJWTAWKDZ-PQVUUMGISA-N
XLogP2.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-fluoro-4-methylideneadamantane
CID 15306993
(3S,5R)-1-fluoro-4-[(1R,3S)-5-fluoro-2-adamantylidene]adamantane
CID 10852063
[(1R,3S)-5-fluoro-2-adamantylidene]-prop-2-enoxymethanol
CID 10037208
1-fluoro-3,7-dimethylbicyclo[3.3.1]nonane
CID 170122585
bis(1-adamantyl)methanimine
CID 87876115
2-(5-hydroxy-2-adamantylidene)acetonitrile
CID 4690503
2-(5-fluoro-2-adamantyl)acetic acid
CID 118370509
2-(2-hydroxyethylidene)cyclohexane-1,3-diol
CID 130127302
ethane-1,2-diol;1-hydroxyadamantan-2-one
CID 67841434
1'-fluorospiro[1,3-dioxolane-2,4'-adamantane]
CID 91619929
(1S,5R)-3-fluorotricyclo[3.3.1.03,7]nonan-9-one
CID 10654444
(5R,7R)-2-oxoadamantane-1-carboxylic acid
CID 7071792

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3S)-5-fluoro-2-adamantylidene]ethanol?
The IUPAC name of 2-[(1R,3S)-5-fluoro-2-adamantylidene]ethanol (CID 10081394) is 2-[(1R,3S)-5-fluoro-2-adamantylidene]ethanol.
What is the SMILES notation for 2-[(1R,3S)-5-fluoro-2-adamantylidene]ethanol?
The canonical SMILES for 2-[(1R,3S)-5-fluoro-2-adamantylidene]ethanol is OC/C=C1\[C@@H]2CC3C[C@H]1CC(F)(C3)C2.
What is the InChIKey of 2-[(1R,3S)-5-fluoro-2-adamantylidene]ethanol?
The InChIKey is PLTNZDJWTAWKDZ-PQVUUMGISA-N. The full InChI is InChI=1S/C12H17FO/c13-12-5-8-3-9(6-12)11(1-2-14)10(4-8)7-12/h1,8-10,14H,2-7H2/b11-1-/t8?,9-,10+,12?/m0/s1.
What are the key properties of 2-[(1R,3S)-5-fluoro-2-adamantylidene]ethanol?
2-[(1R,3S)-5-fluoro-2-adamantylidene]ethanol has a molecular weight of 196.26 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3S)-5-fluoro-2-adamantylidene]ethanol is sourced from PubChem (CID 10081394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).