1-fluoro-4-methylideneadamantane

C11H15F — CID 15306993

IUPAC1-fluoro-4-methylideneadamantane
SMILESC=C1C2CC3CC1CC(F)(C3)C2
InChIInChI=1S/C11H15F/c1-7-9-2-8-3-10(7)6-11(12,4-8)5-9/h8-10H,1-6H2
InChIKeyJWXZDAQCGXBSRI-UHFFFAOYSA-N
MW166.24 g/mol
LogP3.09
Rot. Bonds

About 1-fluoro-4-methylideneadamantane

1-fluoro-4-methylideneadamantane (PubChem CID 15306993) has the molecular formula C11H15F and a molecular weight of 166.24 g/mol. Its IUPAC name is 1-fluoro-4-methylideneadamantane.

Molecular Properties

Compound Name1-fluoro-4-methylideneadamantane
PubChem CID15306993
Molecular FormulaC11H15F
Molecular Weight166.24 g/mol
Exact Mass166.12
IUPAC Name1-fluoro-4-methylideneadamantane
SMILESC=C1C2CC3CC1CC(F)(C3)C2
InChIInChI=1S/C11H15F/c1-7-9-2-8-3-10(7)6-11(12,4-8)5-9/h8-10H,1-6H2
InChIKeyJWXZDAQCGXBSRI-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3S,5R)-1-fluoro-4-[(1R,3S)-5-fluoro-2-adamantylidene]adamantane
CID 10852063
4-methylideneadamantan-1-amine
CID 58192813
(3R,5S)-1-methyl-4-methylideneadamantane
CID 10034924
2-[(1R,3S)-5-fluoro-2-adamantylidene]ethanol
CID 10081394
[(1R,3S)-5-fluoro-2-adamantylidene]-prop-2-enoxymethanol
CID 10037208
1-fluoro-3,7-dimethylbicyclo[3.3.1]nonane
CID 170122585
1-bromo-2-methylideneadamantane
CID 15642463
1'-fluorospiro[1,3-dioxolane-2,4'-adamantane]
CID 91619929
2-(5-fluoro-2-adamantyl)acetic acid
CID 118370509
1-(3,3,3-trifluoroprop-1-en-2-yl)adamantane
CID 11310770
2-oxoadamantane-1-carboxylate
CID 73131505
[1-(1,1-difluoroethoxy)-3-formyloxypropan-2-yl] 4-methylideneadamantane-1-carboxylate
CID 157416583

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-methylideneadamantane?
The IUPAC name of 1-fluoro-4-methylideneadamantane (CID 15306993) is 1-fluoro-4-methylideneadamantane.
What is the SMILES notation for 1-fluoro-4-methylideneadamantane?
The canonical SMILES for 1-fluoro-4-methylideneadamantane is C=C1C2CC3CC1CC(F)(C3)C2.
What is the InChIKey of 1-fluoro-4-methylideneadamantane?
The InChIKey is JWXZDAQCGXBSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F/c1-7-9-2-8-3-10(7)6-11(12,4-8)5-9/h8-10H,1-6H2.
What are the key properties of 1-fluoro-4-methylideneadamantane?
1-fluoro-4-methylideneadamantane has a molecular weight of 166.24 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-methylideneadamantane is sourced from PubChem (CID 15306993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).