4-(3-cyclobutylphenyl)-4-fluoroazepane

C16H22FN — CID 114607413

IUPAC4-(3-cyclobutylphenyl)-4-fluoroazepane
SMILESFC1(c2cccc(C3CCC3)c2)CCCNCC1
InChIInChI=1S/C16H22FN/c17-16(8-3-10-18-11-9-16)15-7-2-6-14(12-15)13-4-1-5-13/h2,6-7,12-13,18H,1,3-5,8-11H2
InChIKeyIJMJBITYJKOBPV-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.89
Rot. Bonds2

About 4-(3-cyclobutylphenyl)-4-fluoroazepane

4-(3-cyclobutylphenyl)-4-fluoroazepane (PubChem CID 114607413) has the molecular formula C16H22FN and a molecular weight of 247.36 g/mol. Its IUPAC name is 4-(3-cyclobutylphenyl)-4-fluoroazepane.

Molecular Properties

Compound Name4-(3-cyclobutylphenyl)-4-fluoroazepane
PubChem CID114607413
Molecular FormulaC16H22FN
Molecular Weight247.36 g/mol
Exact Mass247.17
IUPAC Name4-(3-cyclobutylphenyl)-4-fluoroazepane
SMILESFC1(c2cccc(C3CCC3)c2)CCCNCC1
InChIInChI=1S/C16H22FN/c17-16(8-3-10-18-11-9-16)15-7-2-6-14(12-15)13-4-1-5-13/h2,6-7,12-13,18H,1,3-5,8-11H2
InChIKeyIJMJBITYJKOBPV-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-cyclobutylphenyl)-3-fluoropiperidine
CID 114607384
4-(4-cyclobutylphenyl)-4-fluoropiperidine
CID 116507136
4-fluoro-4-(3-methylphenyl)azepane
CID 103984030
4-fluoro-4-(3-propylphenyl)azepane
CID 116546577
1-(3-piperidin-4-ylphenyl)cyclobutan-1-amine
CID 117333021
2-(3-cyclobutylphenyl)-2-propan-2-ylazepane
CID 114603856
4-(3-piperidin-4-ylphenyl)piperidine
CID 91123464
4-fluoro-4-(4-phenylphenyl)azepane
CID 103983972
4-(2-cyclobutylphenyl)-4-fluoropiperidine
CID 114607386
1-[3-(3-fluoropiperidin-3-yl)phenyl]ethanone
CID 105477579
[1-(3-cyclobutylphenyl)cyclobutyl]methanamine
CID 117307162
3-(azepan-4-yl)benzonitrile
CID 141182585

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclobutylphenyl)-4-fluoroazepane?
The IUPAC name of 4-(3-cyclobutylphenyl)-4-fluoroazepane (CID 114607413) is 4-(3-cyclobutylphenyl)-4-fluoroazepane.
What is the SMILES notation for 4-(3-cyclobutylphenyl)-4-fluoroazepane?
The canonical SMILES for 4-(3-cyclobutylphenyl)-4-fluoroazepane is FC1(c2cccc(C3CCC3)c2)CCCNCC1.
What is the InChIKey of 4-(3-cyclobutylphenyl)-4-fluoroazepane?
The InChIKey is IJMJBITYJKOBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN/c17-16(8-3-10-18-11-9-16)15-7-2-6-14(12-15)13-4-1-5-13/h2,6-7,12-13,18H,1,3-5,8-11H2.
What are the key properties of 4-(3-cyclobutylphenyl)-4-fluoroazepane?
4-(3-cyclobutylphenyl)-4-fluoroazepane has a molecular weight of 247.36 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclobutylphenyl)-4-fluoroazepane is sourced from PubChem (CID 114607413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).