1-fluoro-3,5-dimethyladamantane

C12H19F — CID 12653452

IUPAC1-fluoro-3,5-dimethyladamantane
SMILESCC12CC3CC(C)(C1)CC(F)(C3)C2
InChIInChI=1S/C12H19F/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8H2,1-2H3
InChIKeyCYAVXIUNMGDFLC-UHFFFAOYSA-N
MW182.28 g/mol
LogP3.70
Rot. Bonds

About 1-fluoro-3,5-dimethyladamantane

1-fluoro-3,5-dimethyladamantane (PubChem CID 12653452) has the molecular formula C12H19F and a molecular weight of 182.28 g/mol. Its IUPAC name is 1-fluoro-3,5-dimethyladamantane.

Molecular Properties

Compound Name1-fluoro-3,5-dimethyladamantane
PubChem CID12653452
Molecular FormulaC12H19F
Molecular Weight182.28 g/mol
Exact Mass182.15
IUPAC Name1-fluoro-3,5-dimethyladamantane
SMILESCC12CC3CC(C)(C1)CC(F)(C3)C2
InChIInChI=1S/C12H19F/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8H2,1-2H3
InChIKeyCYAVXIUNMGDFLC-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.28
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Adamantane
CID 9238
1,3-Dimethyladamantane
CID 12800
1,3,5-Trimethyladamantane
CID 136552
1-Methyladamantane
CID 136607
1,2-Difluoro-adamantane
CID 3592660
1-Fluoroadamantane
CID 136608
1,3,5,7-Tetramethyladamantane
CID 137155
2-Fluoroadamantane
CID 140118
2,2-Dimethyladamantane
CID 140578
1-Ethyl-3-methyladamantane
CID 519330
1,3-Dimethyl-5-ethyladamantane
CID 519331
1-Ethyladamantane
CID 522637

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3,5-dimethyladamantane?
The IUPAC name of 1-fluoro-3,5-dimethyladamantane (CID 12653452) is 1-fluoro-3,5-dimethyladamantane.
What is the SMILES notation for 1-fluoro-3,5-dimethyladamantane?
The canonical SMILES for 1-fluoro-3,5-dimethyladamantane is CC12CC3CC(C)(C1)CC(F)(C3)C2.
What is the InChIKey of 1-fluoro-3,5-dimethyladamantane?
The InChIKey is CYAVXIUNMGDFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8H2,1-2H3.
What are the key properties of 1-fluoro-3,5-dimethyladamantane?
1-fluoro-3,5-dimethyladamantane has a molecular weight of 182.28 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3,5-dimethyladamantane is sourced from PubChem (CID 12653452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).