2-[(2,6-difluorophenyl)methyl]-2-propylazepane

C16H23F2N — CID 114932369

IUPAC2-[(2,6-difluorophenyl)methyl]-2-propylazepane
SMILESCCCC1(Cc2c(F)cccc2F)CCCCCN1
InChIInChI=1S/C16H23F2N/c1-2-9-16(10-4-3-5-11-19-16)12-13-14(17)7-6-8-15(13)18/h6-8,19H,2-5,9-12H2,1H3
InChIKeyBMMWXLFNLAJICN-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.21
Rot. Bonds4

About 2-[(2,6-difluorophenyl)methyl]-2-propylazepane

2-[(2,6-difluorophenyl)methyl]-2-propylazepane (PubChem CID 114932369) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)methyl]-2-propylazepane.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)methyl]-2-propylazepane
PubChem CID114932369
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC Name2-[(2,6-difluorophenyl)methyl]-2-propylazepane
SMILESCCCC1(Cc2c(F)cccc2F)CCCCCN1
InChIInChI=1S/C16H23F2N/c1-2-9-16(10-4-3-5-11-19-16)12-13-14(17)7-6-8-15(13)18/h6-8,19H,2-5,9-12H2,1H3
InChIKeyBMMWXLFNLAJICN-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-bromo-2-fluorophenyl)methyl]-2-propylazepane
CID 79118020
2-[(2-chloro-6-fluorophenyl)methyl]-2-ethylpyrrolidine
CID 66468283
2-[(2-chloro-5-fluorophenyl)methyl]-2-propylazepane
CID 102619096
2-[(4-methylphenyl)methyl]-2-propylpiperidine
CID 115058989
2-[(4-tert-butylphenyl)methyl]-2-propylazepane
CID 79119066
(2R)-2-benzyl-2-propylpyrrolidine
CID 124511321
2-propyl-2-[(2,4,6-trimethylphenyl)methyl]pyrrolidine
CID 66466930
2-[(2-chloro-6-fluorophenyl)methyl]-2-methylazepane
CID 79118175
2,2-dipropylpyrrolidine
CID 13332418
2-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-propylazepane
CID 79119255
2-(1-benzothiophen-3-ylmethyl)-2-propylpyrrolidine
CID 66465792
2-[(4-chloro-2-fluorophenyl)methyl]-2-ethylazepane
CID 114856386

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)methyl]-2-propylazepane?
The IUPAC name of 2-[(2,6-difluorophenyl)methyl]-2-propylazepane (CID 114932369) is 2-[(2,6-difluorophenyl)methyl]-2-propylazepane.
What is the SMILES notation for 2-[(2,6-difluorophenyl)methyl]-2-propylazepane?
The canonical SMILES for 2-[(2,6-difluorophenyl)methyl]-2-propylazepane is CCCC1(Cc2c(F)cccc2F)CCCCCN1.
What is the InChIKey of 2-[(2,6-difluorophenyl)methyl]-2-propylazepane?
The InChIKey is BMMWXLFNLAJICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-2-9-16(10-4-3-5-11-19-16)12-13-14(17)7-6-8-15(13)18/h6-8,19H,2-5,9-12H2,1H3.
What are the key properties of 2-[(2,6-difluorophenyl)methyl]-2-propylazepane?
2-[(2,6-difluorophenyl)methyl]-2-propylazepane has a molecular weight of 267.36 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)methyl]-2-propylazepane is sourced from PubChem (CID 114932369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).