4-[[[3-(3-fluorophenyl)cyclobutyl]amino]methyl]oxan-4-ol

C16H22FNO2 — CID 81130777

IUPAC4-[[[3-(3-fluorophenyl)cyclobutyl]amino]methyl]oxan-4-ol
SMILESOC1(CNC2CC(c3cccc(F)c3)C2)CCOCC1
InChIInChI=1S/C16H22FNO2/c17-14-3-1-2-12(8-14)13-9-15(10-13)18-11-16(19)4-6-20-7-5-16/h1-3,8,13,15,18-19H,4-7,9-11H2
InChIKeyBSHOWMLQJTXBIO-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.20
Rot. Bonds4

About 4-[[[3-(3-fluorophenyl)cyclobutyl]amino]methyl]oxan-4-ol

4-[[[3-(3-fluorophenyl)cyclobutyl]amino]methyl]oxan-4-ol (PubChem CID 81130777) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 4-[[[3-(3-fluorophenyl)cyclobutyl]amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[3-(3-fluorophenyl)cyclobutyl]amino]methyl]oxan-4-ol
PubChem CID81130777
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name4-[[[3-(3-fluorophenyl)cyclobutyl]amino]methyl]oxan-4-ol
SMILESOC1(CNC2CC(c3cccc(F)c3)C2)CCOCC1
InChIInChI=1S/C16H22FNO2/c17-14-3-1-2-12(8-14)13-9-15(10-13)18-11-16(19)4-6-20-7-5-16/h1-3,8,13,15,18-19H,4-7,9-11H2
InChIKeyBSHOWMLQJTXBIO-UHFFFAOYSA-N
XLogP2.20
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(3-fluorophenyl)cyclobutyl]amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[3-(3-fluorophenyl)cyclobutyl]amino]methyl]oxan-4-ol (CID 81130777) is 4-[[[3-(3-fluorophenyl)cyclobutyl]amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[3-(3-fluorophenyl)cyclobutyl]amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[3-(3-fluorophenyl)cyclobutyl]amino]methyl]oxan-4-ol is OC1(CNC2CC(c3cccc(F)c3)C2)CCOCC1.
What is the InChIKey of 4-[[[3-(3-fluorophenyl)cyclobutyl]amino]methyl]oxan-4-ol?
The InChIKey is BSHOWMLQJTXBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c17-14-3-1-2-12(8-14)13-9-15(10-13)18-11-16(19)4-6-20-7-5-16/h1-3,8,13,15,18-19H,4-7,9-11H2.
What are the key properties of 4-[[[3-(3-fluorophenyl)cyclobutyl]amino]methyl]oxan-4-ol?
4-[[[3-(3-fluorophenyl)cyclobutyl]amino]methyl]oxan-4-ol has a molecular weight of 279.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(3-fluorophenyl)cyclobutyl]amino]methyl]oxan-4-ol is sourced from PubChem (CID 81130777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).