[2-(difluoromethyl)-2-methylmorpholin-4-yl]-[(1R,2R)-2-thiophen-3-ylcyclopropyl]methanone

C14H17F2NO2S — CID 136584452

IUPAC[2-(difluoromethyl)-2-methylmorpholin-4-yl]-[(1R,2R)-2-thiophen-3-ylcyclopropyl]methanone
SMILESCC1(C(F)F)CN(C(=O)[C@@H]2C[C@H]2c2ccsc2)CCO1
InChIInChI=1S/C14H17F2NO2S/c1-14(13(15)16)8-17(3-4-19-14)12(18)11-6-10(11)9-2-5-20-7-9/h2,5,7,10-11,13H,3-4,6,8H2,1H3/t10-,11+,14?/m0/s1
InChIKeyFHYQOUAXRXDCOO-VJDHTCGKSA-N
MW301.36 g/mol
LogP2.73
Rot. Bonds3

About [2-(difluoromethyl)-2-methylmorpholin-4-yl]-[(1R,2R)-2-thiophen-3-ylcyclopropyl]methanone

[2-(difluoromethyl)-2-methylmorpholin-4-yl]-[(1R,2R)-2-thiophen-3-ylcyclopropyl]methanone (PubChem CID 136584452) has the molecular formula C14H17F2NO2S and a molecular weight of 301.36 g/mol. Its IUPAC name is [2-(difluoromethyl)-2-methylmorpholin-4-yl]-[(1R,2R)-2-thiophen-3-ylcyclopropyl]methanone.

Molecular Properties

Compound Name[2-(difluoromethyl)-2-methylmorpholin-4-yl]-[(1R,2R)-2-thiophen-3-ylcyclopropyl]methanone
PubChem CID136584452
Molecular FormulaC14H17F2NO2S
Molecular Weight301.36 g/mol
Exact Mass301.09
IUPAC Name[2-(difluoromethyl)-2-methylmorpholin-4-yl]-[(1R,2R)-2-thiophen-3-ylcyclopropyl]methanone
SMILESCC1(C(F)F)CN(C(=O)[C@@H]2C[C@H]2c2ccsc2)CCO1
InChIInChI=1S/C14H17F2NO2S/c1-14(13(15)16)8-17(3-4-19-14)12(18)11-6-10(11)9-2-5-20-7-9/h2,5,7,10-11,13H,3-4,6,8H2,1H3/t10-,11+,14?/m0/s1
InChIKeyFHYQOUAXRXDCOO-VJDHTCGKSA-N
XLogP2.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)-2-methylmorpholin-4-yl]-[(1R,2R)-2-thiophen-3-ylcyclopropyl]methanone?
The IUPAC name of [2-(difluoromethyl)-2-methylmorpholin-4-yl]-[(1R,2R)-2-thiophen-3-ylcyclopropyl]methanone (CID 136584452) is [2-(difluoromethyl)-2-methylmorpholin-4-yl]-[(1R,2R)-2-thiophen-3-ylcyclopropyl]methanone.
What is the SMILES notation for [2-(difluoromethyl)-2-methylmorpholin-4-yl]-[(1R,2R)-2-thiophen-3-ylcyclopropyl]methanone?
The canonical SMILES for [2-(difluoromethyl)-2-methylmorpholin-4-yl]-[(1R,2R)-2-thiophen-3-ylcyclopropyl]methanone is CC1(C(F)F)CN(C(=O)[C@@H]2C[C@H]2c2ccsc2)CCO1.
What is the InChIKey of [2-(difluoromethyl)-2-methylmorpholin-4-yl]-[(1R,2R)-2-thiophen-3-ylcyclopropyl]methanone?
The InChIKey is FHYQOUAXRXDCOO-VJDHTCGKSA-N. The full InChI is InChI=1S/C14H17F2NO2S/c1-14(13(15)16)8-17(3-4-19-14)12(18)11-6-10(11)9-2-5-20-7-9/h2,5,7,10-11,13H,3-4,6,8H2,1H3/t10-,11+,14?/m0/s1.
What are the key properties of [2-(difluoromethyl)-2-methylmorpholin-4-yl]-[(1R,2R)-2-thiophen-3-ylcyclopropyl]methanone?
[2-(difluoromethyl)-2-methylmorpholin-4-yl]-[(1R,2R)-2-thiophen-3-ylcyclopropyl]methanone has a molecular weight of 301.36 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)-2-methylmorpholin-4-yl]-[(1R,2R)-2-thiophen-3-ylcyclopropyl]methanone is sourced from PubChem (CID 136584452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).