4-[[3-(4-fluorophenyl)cyclobutyl]amino]cyclohexan-1-ol

C16H22FNO — CID 43633372

IUPAC4-[[3-(4-fluorophenyl)cyclobutyl]amino]cyclohexan-1-ol
SMILESOC1CCC(NC2CC(c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C16H22FNO/c17-13-3-1-11(2-4-13)12-9-15(10-12)18-14-5-7-16(19)8-6-14/h1-4,12,14-16,18-19H,5-10H2
InChIKeyBVXUVFMLECDLJX-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.96
Rot. Bonds3

About 4-[[3-(4-fluorophenyl)cyclobutyl]amino]cyclohexan-1-ol

4-[[3-(4-fluorophenyl)cyclobutyl]amino]cyclohexan-1-ol (PubChem CID 43633372) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 4-[[3-(4-fluorophenyl)cyclobutyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[3-(4-fluorophenyl)cyclobutyl]amino]cyclohexan-1-ol
PubChem CID43633372
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name4-[[3-(4-fluorophenyl)cyclobutyl]amino]cyclohexan-1-ol
SMILESOC1CCC(NC2CC(c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C16H22FNO/c17-13-3-1-11(2-4-13)12-9-15(10-12)18-14-5-7-16(19)8-6-14/h1-4,12,14-16,18-19H,5-10H2
InChIKeyBVXUVFMLECDLJX-UHFFFAOYSA-N
XLogP2.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-fluorophenyl)cyclobutyl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[3-(4-fluorophenyl)cyclobutyl]amino]cyclohexan-1-ol (CID 43633372) is 4-[[3-(4-fluorophenyl)cyclobutyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[3-(4-fluorophenyl)cyclobutyl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[3-(4-fluorophenyl)cyclobutyl]amino]cyclohexan-1-ol is OC1CCC(NC2CC(c3ccc(F)cc3)C2)CC1.
What is the InChIKey of 4-[[3-(4-fluorophenyl)cyclobutyl]amino]cyclohexan-1-ol?
The InChIKey is BVXUVFMLECDLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c17-13-3-1-11(2-4-13)12-9-15(10-12)18-14-5-7-16(19)8-6-14/h1-4,12,14-16,18-19H,5-10H2.
What are the key properties of 4-[[3-(4-fluorophenyl)cyclobutyl]amino]cyclohexan-1-ol?
4-[[3-(4-fluorophenyl)cyclobutyl]amino]cyclohexan-1-ol has a molecular weight of 263.36 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-fluorophenyl)cyclobutyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 43633372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).