4-(4-fluoroanilino)adamantan-1-ol

C16H20FNO — CID 12037666

IUPAC4-(4-fluoroanilino)adamantan-1-ol
SMILESOC12CC3CC(C1)C(Nc1ccc(F)cc1)C(C3)C2
InChIInChI=1S/C16H20FNO/c17-13-1-3-14(4-2-13)18-15-11-5-10-6-12(15)9-16(19,7-10)8-11/h1-4,10-12,15,18-19H,5-9H2
InChIKeyCLARRIYEDMLCEK-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.18
Rot. Bonds2

About 4-(4-fluoroanilino)adamantan-1-ol

4-(4-fluoroanilino)adamantan-1-ol (PubChem CID 12037666) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is 4-(4-fluoroanilino)adamantan-1-ol.

Molecular Properties

Compound Name4-(4-fluoroanilino)adamantan-1-ol
PubChem CID12037666
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC Name4-(4-fluoroanilino)adamantan-1-ol
SMILESOC12CC3CC(C1)C(Nc1ccc(F)cc1)C(C3)C2
InChIInChI=1S/C16H20FNO/c17-13-1-3-14(4-2-13)18-15-11-5-10-6-12(15)9-16(19,7-10)8-11/h1-4,10-12,15,18-19H,5-9H2
InChIKeyCLARRIYEDMLCEK-UHFFFAOYSA-N
XLogP3.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoroanilino)adamantan-1-ol?
The IUPAC name of 4-(4-fluoroanilino)adamantan-1-ol (CID 12037666) is 4-(4-fluoroanilino)adamantan-1-ol.
What is the SMILES notation for 4-(4-fluoroanilino)adamantan-1-ol?
The canonical SMILES for 4-(4-fluoroanilino)adamantan-1-ol is OC12CC3CC(C1)C(Nc1ccc(F)cc1)C(C3)C2.
What is the InChIKey of 4-(4-fluoroanilino)adamantan-1-ol?
The InChIKey is CLARRIYEDMLCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO/c17-13-1-3-14(4-2-13)18-15-11-5-10-6-12(15)9-16(19,7-10)8-11/h1-4,10-12,15,18-19H,5-9H2.
What are the key properties of 4-(4-fluoroanilino)adamantan-1-ol?
4-(4-fluoroanilino)adamantan-1-ol has a molecular weight of 261.34 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoroanilino)adamantan-1-ol is sourced from PubChem (CID 12037666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).