[(1S,2S)-2-(difluoromethyl)cyclopropyl]-(1,2-oxazolidin-2-yl)methanone

C8H11F2NO2 — CID 130734831

IUPAC[(1S,2S)-2-(difluoromethyl)cyclopropyl]-(1,2-oxazolidin-2-yl)methanone
SMILESO=C([C@H]1C[C@@H]1C(F)F)N1CCCO1
InChIInChI=1S/C8H11F2NO2/c9-7(10)5-4-6(5)8(12)11-2-1-3-13-11/h5-7H,1-4H2/t5-,6-/m0/s1
InChIKeyVNZHVPZEGNPBDN-WDSKDSINSA-N
MW191.18 g/mol
LogP1.05
Rot. Bonds2

About [(1S,2S)-2-(difluoromethyl)cyclopropyl]-(1,2-oxazolidin-2-yl)methanone

[(1S,2S)-2-(difluoromethyl)cyclopropyl]-(1,2-oxazolidin-2-yl)methanone (PubChem CID 130734831) has the molecular formula C8H11F2NO2 and a molecular weight of 191.18 g/mol. Its IUPAC name is [(1S,2S)-2-(difluoromethyl)cyclopropyl]-(1,2-oxazolidin-2-yl)methanone.

Molecular Properties

Compound Name[(1S,2S)-2-(difluoromethyl)cyclopropyl]-(1,2-oxazolidin-2-yl)methanone
PubChem CID130734831
Molecular FormulaC8H11F2NO2
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Name[(1S,2S)-2-(difluoromethyl)cyclopropyl]-(1,2-oxazolidin-2-yl)methanone
SMILESO=C([C@H]1C[C@@H]1C(F)F)N1CCCO1
InChIInChI=1S/C8H11F2NO2/c9-7(10)5-4-6(5)8(12)11-2-1-3-13-11/h5-7H,1-4H2/t5-,6-/m0/s1
InChIKeyVNZHVPZEGNPBDN-WDSKDSINSA-N
XLogP1.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,2R)-2-(3,4-difluorophenyl)cyclopropyl]-(oxazinan-2-yl)methanone
CID 99789765
1,2-oxazolidin-2-yl-[(2S)-piperidin-2-yl]methanone
CID 104914649
[(4R,4aS,8aR)-6-(2-methoxyethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97388800
2-methylsulfonyl-1-(1,2-oxazolidin-2-yl)propan-1-one
CID 104520399
[(3aR,7S,7aR)-2-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone;formic acid
CID 155879332
[(4R,4aR,8aR)-6-(5-fluoropyrimidin-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97367107
[(4R,4aR,8aR)-6-(2-ethoxyethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97367117
[(3aS,7S,7aS)-2-(oxan-4-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone
CID 124787954
[(3aS,7S,7aS)-2-(2-pyrrolidin-1-ylethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone
CID 124788204
N-[4-(1,2-oxazolidine-2-carbonyl)cyclohexyl]cyclopentanecarboxamide
CID 91648002
[(4R,4aR,8aR)-6-(oxan-4-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 127023116
4-(oxazinane-2-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 113375920

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(difluoromethyl)cyclopropyl]-(1,2-oxazolidin-2-yl)methanone?
The IUPAC name of [(1S,2S)-2-(difluoromethyl)cyclopropyl]-(1,2-oxazolidin-2-yl)methanone (CID 130734831) is [(1S,2S)-2-(difluoromethyl)cyclopropyl]-(1,2-oxazolidin-2-yl)methanone.
What is the SMILES notation for [(1S,2S)-2-(difluoromethyl)cyclopropyl]-(1,2-oxazolidin-2-yl)methanone?
The canonical SMILES for [(1S,2S)-2-(difluoromethyl)cyclopropyl]-(1,2-oxazolidin-2-yl)methanone is O=C([C@H]1C[C@@H]1C(F)F)N1CCCO1.
What is the InChIKey of [(1S,2S)-2-(difluoromethyl)cyclopropyl]-(1,2-oxazolidin-2-yl)methanone?
The InChIKey is VNZHVPZEGNPBDN-WDSKDSINSA-N. The full InChI is InChI=1S/C8H11F2NO2/c9-7(10)5-4-6(5)8(12)11-2-1-3-13-11/h5-7H,1-4H2/t5-,6-/m0/s1.
What are the key properties of [(1S,2S)-2-(difluoromethyl)cyclopropyl]-(1,2-oxazolidin-2-yl)methanone?
[(1S,2S)-2-(difluoromethyl)cyclopropyl]-(1,2-oxazolidin-2-yl)methanone has a molecular weight of 191.18 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(difluoromethyl)cyclopropyl]-(1,2-oxazolidin-2-yl)methanone is sourced from PubChem (CID 130734831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).