cyclopentyl-[(2R)-2-(fluoromethyl)-1,4-oxazepan-4-yl]methanone

C12H20FNO2 — CID 129349008

IUPACcyclopentyl-[(2R)-2-(fluoromethyl)-1,4-oxazepan-4-yl]methanone
SMILESO=C(C1CCCC1)N1CCCO[C@@H](CF)C1
InChIInChI=1S/C12H20FNO2/c13-8-11-9-14(6-3-7-16-11)12(15)10-4-1-2-5-10/h10-11H,1-9H2/t11-/m0/s1
InChIKeyZKRDIGOMJVOBKG-NSHDSACASA-N
MW229.29 g/mol
LogP1.76
Rot. Bonds2

About cyclopentyl-[(2R)-2-(fluoromethyl)-1,4-oxazepan-4-yl]methanone

cyclopentyl-[(2R)-2-(fluoromethyl)-1,4-oxazepan-4-yl]methanone (PubChem CID 129349008) has the molecular formula C12H20FNO2 and a molecular weight of 229.29 g/mol. Its IUPAC name is cyclopentyl-[(2R)-2-(fluoromethyl)-1,4-oxazepan-4-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[(2R)-2-(fluoromethyl)-1,4-oxazepan-4-yl]methanone
PubChem CID129349008
Molecular FormulaC12H20FNO2
Molecular Weight229.29 g/mol
Exact Mass229.15
IUPAC Namecyclopentyl-[(2R)-2-(fluoromethyl)-1,4-oxazepan-4-yl]methanone
SMILESO=C(C1CCCC1)N1CCCO[C@@H](CF)C1
InChIInChI=1S/C12H20FNO2/c13-8-11-9-14(6-3-7-16-11)12(15)10-4-1-2-5-10/h10-11H,1-9H2/t11-/m0/s1
InChIKeyZKRDIGOMJVOBKG-NSHDSACASA-N
XLogP1.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-aminocyclohexyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone
CID 114218405
cyclopropyl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208707
oxan-2-ylmethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate
CID 60612573
[(2R)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]-cyclopentylmethanone
CID 95123744
methyl 2-[4-(cyclobutanecarbonyl)morpholin-2-yl]acetate
CID 79806815
1-[(2R)-2-(fluoromethyl)-1,4-oxazepan-4-yl]-2,2-dimethylbut-3-en-1-one
CID 129348839
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
[2-(cyclohexylmethyl)morpholin-4-yl]-(oxan-4-yl)methanone
CID 45197657
2-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]morpholin-2-yl]acetic acid
CID 119248813
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
cyclopropyl-[(2S)-2-(methylaminomethyl)morpholin-4-yl]methanone
CID 166684105

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(2R)-2-(fluoromethyl)-1,4-oxazepan-4-yl]methanone?
The IUPAC name of cyclopentyl-[(2R)-2-(fluoromethyl)-1,4-oxazepan-4-yl]methanone (CID 129349008) is cyclopentyl-[(2R)-2-(fluoromethyl)-1,4-oxazepan-4-yl]methanone.
What is the SMILES notation for cyclopentyl-[(2R)-2-(fluoromethyl)-1,4-oxazepan-4-yl]methanone?
The canonical SMILES for cyclopentyl-[(2R)-2-(fluoromethyl)-1,4-oxazepan-4-yl]methanone is O=C(C1CCCC1)N1CCCO[C@@H](CF)C1.
What is the InChIKey of cyclopentyl-[(2R)-2-(fluoromethyl)-1,4-oxazepan-4-yl]methanone?
The InChIKey is ZKRDIGOMJVOBKG-NSHDSACASA-N. The full InChI is InChI=1S/C12H20FNO2/c13-8-11-9-14(6-3-7-16-11)12(15)10-4-1-2-5-10/h10-11H,1-9H2/t11-/m0/s1.
What are the key properties of cyclopentyl-[(2R)-2-(fluoromethyl)-1,4-oxazepan-4-yl]methanone?
cyclopentyl-[(2R)-2-(fluoromethyl)-1,4-oxazepan-4-yl]methanone has a molecular weight of 229.29 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(2R)-2-(fluoromethyl)-1,4-oxazepan-4-yl]methanone is sourced from PubChem (CID 129349008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).