2-(2-chloro-5-fluorophenyl)-2-propylazepane

C15H21ClFN — CID 105395218

IUPAC2-(2-chloro-5-fluorophenyl)-2-propylazepane
SMILESCCCC1(c2cc(F)ccc2Cl)CCCCCN1
InChIInChI=1S/C15H21ClFN/c1-2-8-15(9-4-3-5-10-18-15)13-11-12(17)6-7-14(13)16/h6-7,11,18H,2-5,8-10H2,1H3
InChIKeyRLDLBROYGOXQEF-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.64
Rot. Bonds3

About 2-(2-chloro-5-fluorophenyl)-2-propylazepane

2-(2-chloro-5-fluorophenyl)-2-propylazepane (PubChem CID 105395218) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-2-propylazepane.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-2-propylazepane
PubChem CID105395218
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC Name2-(2-chloro-5-fluorophenyl)-2-propylazepane
SMILESCCCC1(c2cc(F)ccc2Cl)CCCCCN1
InChIInChI=1S/C15H21ClFN/c1-2-8-15(9-4-3-5-10-18-15)13-11-12(17)6-7-14(13)16/h6-7,11,18H,2-5,8-10H2,1H3
InChIKeyRLDLBROYGOXQEF-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-2-propylazepane?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-2-propylazepane (CID 105395218) is 2-(2-chloro-5-fluorophenyl)-2-propylazepane.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-2-propylazepane?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-2-propylazepane is CCCC1(c2cc(F)ccc2Cl)CCCCCN1.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-2-propylazepane?
The InChIKey is RLDLBROYGOXQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-2-8-15(9-4-3-5-10-18-15)13-11-12(17)6-7-14(13)16/h6-7,11,18H,2-5,8-10H2,1H3.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-2-propylazepane?
2-(2-chloro-5-fluorophenyl)-2-propylazepane has a molecular weight of 269.79 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-2-propylazepane is sourced from PubChem (CID 105395218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).