1-(fluoromethyl)adamantane

C11H17F — CID 11401003

IUPAC1-(fluoromethyl)adamantane
SMILESFCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H17F/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-7H2
InChIKeyAORDNSOJQHJEBS-UHFFFAOYSA-N
MW168.25 g/mol
LogP3.17
Rot. Bonds1

About 1-(fluoromethyl)adamantane

1-(fluoromethyl)adamantane (PubChem CID 11401003) has the molecular formula C11H17F and a molecular weight of 168.25 g/mol. Its IUPAC name is 1-(fluoromethyl)adamantane.

Molecular Properties

Compound Name1-(fluoromethyl)adamantane
PubChem CID11401003
Molecular FormulaC11H17F
Molecular Weight168.25 g/mol
Exact Mass168.13
IUPAC Name1-(fluoromethyl)adamantane
SMILESFCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H17F/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-7H2
InChIKeyAORDNSOJQHJEBS-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.25
LogP ≤ 53.17
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
2,2-Difluoroadamantane
CID 1536378
1-Fluoroadamantane
CID 136608
1,3,5,7-Tetramethyladamantane
CID 137155
2-Fluoroadamantane
CID 140118
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-(fluoromethyl)adamantane?
The IUPAC name of 1-(fluoromethyl)adamantane (CID 11401003) is 1-(fluoromethyl)adamantane.
What is the SMILES notation for 1-(fluoromethyl)adamantane?
The canonical SMILES for 1-(fluoromethyl)adamantane is FCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(fluoromethyl)adamantane?
The InChIKey is AORDNSOJQHJEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-7H2.
What are the key properties of 1-(fluoromethyl)adamantane?
1-(fluoromethyl)adamantane has a molecular weight of 168.25 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)adamantane is sourced from PubChem (CID 11401003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).