[(1S,2R)-2-(3,4-difluorophenyl)cyclopropyl]-(oxazinan-2-yl)methanone

C14H15F2NO2 — CID 99789765

IUPAC[(1S,2R)-2-(3,4-difluorophenyl)cyclopropyl]-(oxazinan-2-yl)methanone
SMILESO=C([C@H]1C[C@H]1c1ccc(F)c(F)c1)N1CCCCO1
InChIInChI=1S/C14H15F2NO2/c15-12-4-3-9(7-13(12)16)10-8-11(10)14(18)17-5-1-2-6-19-17/h3-4,7,10-11H,1-2,5-6,8H2/t10-,11-/m0/s1
InChIKeyQEWCRFFRVIEUDK-QWRGUYRKSA-N
MW267.27 g/mol
LogP2.62
Rot. Bonds2

About [(1S,2R)-2-(3,4-difluorophenyl)cyclopropyl]-(oxazinan-2-yl)methanone

[(1S,2R)-2-(3,4-difluorophenyl)cyclopropyl]-(oxazinan-2-yl)methanone (PubChem CID 99789765) has the molecular formula C14H15F2NO2 and a molecular weight of 267.27 g/mol. Its IUPAC name is [(1S,2R)-2-(3,4-difluorophenyl)cyclopropyl]-(oxazinan-2-yl)methanone.

Molecular Properties

Compound Name[(1S,2R)-2-(3,4-difluorophenyl)cyclopropyl]-(oxazinan-2-yl)methanone
PubChem CID99789765
Molecular FormulaC14H15F2NO2
Molecular Weight267.27 g/mol
Exact Mass267.11
IUPAC Name[(1S,2R)-2-(3,4-difluorophenyl)cyclopropyl]-(oxazinan-2-yl)methanone
SMILESO=C([C@H]1C[C@H]1c1ccc(F)c(F)c1)N1CCCCO1
InChIInChI=1S/C14H15F2NO2/c15-12-4-3-9(7-13(12)16)10-8-11(10)14(18)17-5-1-2-6-19-17/h3-4,7,10-11H,1-2,5-6,8H2/t10-,11-/m0/s1
InChIKeyQEWCRFFRVIEUDK-QWRGUYRKSA-N
XLogP2.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 91647027
(2R)-1-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 124572542
1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 119356871
(4-aminopiperidin-1-yl)-[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methanone
CID 100644316
(2R,3R)-1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]-2-methylpiperidine-3-carboxylic acid
CID 122115873
2-[(2S)-1-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropanecarbonyl]piperidin-2-yl]acetic acid
CID 124868689
cis-(1R,2S)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide
CID 124562405
[(3R)-3-aminopyrrolidin-1-yl]-[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methanone
CID 124699536
[2-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone;hydrochloride
CID 119436871
[(3R)-3-aminopyrrolidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone;hydrochloride
CID 119412379
[2-(3,4-difluorophenyl)cyclopropyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492182
[2-(1-aminoethyl)morpholin-4-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone;hydrochloride
CID 86813900

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-(3,4-difluorophenyl)cyclopropyl]-(oxazinan-2-yl)methanone?
The IUPAC name of [(1S,2R)-2-(3,4-difluorophenyl)cyclopropyl]-(oxazinan-2-yl)methanone (CID 99789765) is [(1S,2R)-2-(3,4-difluorophenyl)cyclopropyl]-(oxazinan-2-yl)methanone.
What is the SMILES notation for [(1S,2R)-2-(3,4-difluorophenyl)cyclopropyl]-(oxazinan-2-yl)methanone?
The canonical SMILES for [(1S,2R)-2-(3,4-difluorophenyl)cyclopropyl]-(oxazinan-2-yl)methanone is O=C([C@H]1C[C@H]1c1ccc(F)c(F)c1)N1CCCCO1.
What is the InChIKey of [(1S,2R)-2-(3,4-difluorophenyl)cyclopropyl]-(oxazinan-2-yl)methanone?
The InChIKey is QEWCRFFRVIEUDK-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H15F2NO2/c15-12-4-3-9(7-13(12)16)10-8-11(10)14(18)17-5-1-2-6-19-17/h3-4,7,10-11H,1-2,5-6,8H2/t10-,11-/m0/s1.
What are the key properties of [(1S,2R)-2-(3,4-difluorophenyl)cyclopropyl]-(oxazinan-2-yl)methanone?
[(1S,2R)-2-(3,4-difluorophenyl)cyclopropyl]-(oxazinan-2-yl)methanone has a molecular weight of 267.27 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-(3,4-difluorophenyl)cyclopropyl]-(oxazinan-2-yl)methanone is sourced from PubChem (CID 99789765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).