1-(3-fluoropentyl)adamantane

C15H25F — CID 161365414

IUPAC1-(3-fluoropentyl)adamantane
SMILESCCC(F)CCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25F/c1-2-14(16)3-4-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-14H,2-10H2,1H3
InChIKeyMSNRIRQHWNWIOK-UHFFFAOYSA-N
MW224.36 g/mol
LogP4.73
Rot. Bonds4

About 1-(3-fluoropentyl)adamantane

1-(3-fluoropentyl)adamantane (PubChem CID 161365414) has the molecular formula C15H25F and a molecular weight of 224.36 g/mol. Its IUPAC name is 1-(3-fluoropentyl)adamantane.

Molecular Properties

Compound Name1-(3-fluoropentyl)adamantane
PubChem CID161365414
Molecular FormulaC15H25F
Molecular Weight224.36 g/mol
Exact Mass224.19
IUPAC Name1-(3-fluoropentyl)adamantane
SMILESCCC(F)CCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25F/c1-2-14(16)3-4-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-14H,2-10H2,1H3
InChIKeyMSNRIRQHWNWIOK-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.36
LogP ≤ 54.73
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-(3-fluoropentyl)adamantane?
The IUPAC name of 1-(3-fluoropentyl)adamantane (CID 161365414) is 1-(3-fluoropentyl)adamantane.
What is the SMILES notation for 1-(3-fluoropentyl)adamantane?
The canonical SMILES for 1-(3-fluoropentyl)adamantane is CCC(F)CCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(3-fluoropentyl)adamantane?
The InChIKey is MSNRIRQHWNWIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F/c1-2-14(16)3-4-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-14H,2-10H2,1H3.
What are the key properties of 1-(3-fluoropentyl)adamantane?
1-(3-fluoropentyl)adamantane has a molecular weight of 224.36 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropentyl)adamantane is sourced from PubChem (CID 161365414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).