2,2-difluoro-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethanone

C10H18F2N2O2 — CID 103515228

IUPAC2,2-difluoro-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethanone
SMILESCOCCN1CCCN(C(=O)C(F)F)CC1
InChIInChI=1S/C10H18F2N2O2/c1-16-8-7-13-3-2-4-14(6-5-13)10(15)9(11)12/h9H,2-8H2,1H3
InChIKeyZAMMQNLJZOYCBX-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.43
Rot. Bonds4

About 2,2-difluoro-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethanone

2,2-difluoro-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethanone (PubChem CID 103515228) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is 2,2-difluoro-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethanone
PubChem CID103515228
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name2,2-difluoro-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethanone
SMILESCOCCN1CCCN(C(=O)C(F)F)CC1
InChIInChI=1S/C10H18F2N2O2/c1-16-8-7-13-3-2-4-14(6-5-13)10(15)9(11)12/h9H,2-8H2,1H3
InChIKeyZAMMQNLJZOYCBX-UHFFFAOYSA-N
XLogP0.43
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-3,3-dimethylbutan-1-one
CID 61164959
4-amino-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-2-methylbutan-1-one
CID 80543262
3-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-3-oxopropanoic acid
CID 62229918
(2S)-2-amino-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 104897534
(2R)-2-(3,4-difluorophenoxy)-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]propan-1-one
CID 96545944
2-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-2-oxoethoxy]acetic acid
CID 61327126
2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethanone
CID 54874370
4-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-2,2-dimethyl-4-oxobutanoic acid
CID 65302083
(2R)-2-(3-chlorophenyl)-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]propan-1-one
CID 96510176
1-[4-(2-methoxyethyl)piperazin-1-yl]propan-1-one
CID 59468982
3-[4-(2-methoxyethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 86931018
(2S)-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-2-phenyl-2-pyrazol-1-ylethanone
CID 94806182

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethanone?
The IUPAC name of 2,2-difluoro-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethanone (CID 103515228) is 2,2-difluoro-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethanone.
What is the SMILES notation for 2,2-difluoro-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethanone?
The canonical SMILES for 2,2-difluoro-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethanone is COCCN1CCCN(C(=O)C(F)F)CC1.
What is the InChIKey of 2,2-difluoro-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethanone?
The InChIKey is ZAMMQNLJZOYCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2/c1-16-8-7-13-3-2-4-14(6-5-13)10(15)9(11)12/h9H,2-8H2,1H3.
What are the key properties of 2,2-difluoro-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethanone?
2,2-difluoro-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethanone has a molecular weight of 236.26 g/mol, XLogP of 0.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethanone is sourced from PubChem (CID 103515228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).