4-fluoro-4-(3-propylphenyl)azepane

C15H22FN — CID 116546577

IUPAC4-fluoro-4-(3-propylphenyl)azepane
SMILESCCCc1cccc(C2(F)CCCNCC2)c1
InChIInChI=1S/C15H22FN/c1-2-5-13-6-3-7-14(12-13)15(16)8-4-10-17-11-9-15/h3,6-7,12,17H,2,4-5,8-11H2,1H3
InChIKeyCJMGOJOYNLAAJU-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.58
Rot. Bonds3

About 4-fluoro-4-(3-propylphenyl)azepane

4-fluoro-4-(3-propylphenyl)azepane (PubChem CID 116546577) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 4-fluoro-4-(3-propylphenyl)azepane.

Molecular Properties

Compound Name4-fluoro-4-(3-propylphenyl)azepane
PubChem CID116546577
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name4-fluoro-4-(3-propylphenyl)azepane
SMILESCCCc1cccc(C2(F)CCCNCC2)c1
InChIInChI=1S/C15H22FN/c1-2-5-13-6-3-7-14(12-13)15(16)8-4-10-17-11-9-15/h3,6-7,12,17H,2,4-5,8-11H2,1H3
InChIKeyCJMGOJOYNLAAJU-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-4-(3-methylphenyl)azepane
CID 103984030
1-[3-(4-fluoropiperidin-4-yl)phenyl]propan-2-amine
CID 84727421
4-(3-cyclobutylphenyl)-4-fluoroazepane
CID 114607413
2-(2-methylpropyl)-2-(3-propylphenyl)pyrrolidine
CID 116544640
3-[3-(1-fluorocyclobutyl)phenyl]-N-methylpropan-1-amine
CID 84724872
N,N-dibenzyl-3-(4-fluoropiperidin-4-yl)aniline
CID 67464194
[3-(1-fluorocyclobutyl)phenyl]methanamine
CID 84718168
2-cyclopropyl-2-(3-propylphenyl)azepane
CID 116544727
4-fluoro-4-(4-phenylphenyl)azepane
CID 103983972
3,3-dimethyl-1-(3-propylphenyl)cyclohexan-1-ol
CID 116542580
4-fluoro-4-(4-propan-2-ylphenyl)azepane
CID 113361786
2-(4-fluoropiperidin-4-yl)-5-propylpyridine
CID 123706205

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(3-propylphenyl)azepane?
The IUPAC name of 4-fluoro-4-(3-propylphenyl)azepane (CID 116546577) is 4-fluoro-4-(3-propylphenyl)azepane.
What is the SMILES notation for 4-fluoro-4-(3-propylphenyl)azepane?
The canonical SMILES for 4-fluoro-4-(3-propylphenyl)azepane is CCCc1cccc(C2(F)CCCNCC2)c1.
What is the InChIKey of 4-fluoro-4-(3-propylphenyl)azepane?
The InChIKey is CJMGOJOYNLAAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-2-5-13-6-3-7-14(12-13)15(16)8-4-10-17-11-9-15/h3,6-7,12,17H,2,4-5,8-11H2,1H3.
What are the key properties of 4-fluoro-4-(3-propylphenyl)azepane?
4-fluoro-4-(3-propylphenyl)azepane has a molecular weight of 235.35 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(3-propylphenyl)azepane is sourced from PubChem (CID 116546577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).