[(1S)-2,2-difluoro-1-methylcyclopropyl]-(4-ethylpiperazin-1-yl)methanone

C11H18F2N2O — CID 129261388

IUPAC[(1S)-2,2-difluoro-1-methylcyclopropyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)[C@]2(C)CC2(F)F)CC1
InChIInChI=1S/C11H18F2N2O/c1-3-14-4-6-15(7-5-14)9(16)10(2)8-11(10,12)13/h3-8H2,1-2H3/t10-/m0/s1
InChIKeyZCBXJVAZZKMTSI-JTQLQIEISA-N
MW232.27 g/mol
LogP1.20
Rot. Bonds2

About [(1S)-2,2-difluoro-1-methylcyclopropyl]-(4-ethylpiperazin-1-yl)methanone

[(1S)-2,2-difluoro-1-methylcyclopropyl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 129261388) has the molecular formula C11H18F2N2O and a molecular weight of 232.27 g/mol. Its IUPAC name is [(1S)-2,2-difluoro-1-methylcyclopropyl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(1S)-2,2-difluoro-1-methylcyclopropyl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID129261388
Molecular FormulaC11H18F2N2O
Molecular Weight232.27 g/mol
Exact Mass232.14
IUPAC Name[(1S)-2,2-difluoro-1-methylcyclopropyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)[C@]2(C)CC2(F)F)CC1
InChIInChI=1S/C11H18F2N2O/c1-3-14-4-6-15(7-5-14)9(16)10(2)8-11(10,12)13/h3-8H2,1-2H3/t10-/m0/s1
InChIKeyZCBXJVAZZKMTSI-JTQLQIEISA-N
XLogP1.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S)-2,2-difluoro-1-methylcyclopropyl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [(1S)-2,2-difluoro-1-methylcyclopropyl]-(4-ethylpiperazin-1-yl)methanone (CID 129261388) is [(1S)-2,2-difluoro-1-methylcyclopropyl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [(1S)-2,2-difluoro-1-methylcyclopropyl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [(1S)-2,2-difluoro-1-methylcyclopropyl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)[C@]2(C)CC2(F)F)CC1.
What is the InChIKey of [(1S)-2,2-difluoro-1-methylcyclopropyl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is ZCBXJVAZZKMTSI-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18F2N2O/c1-3-14-4-6-15(7-5-14)9(16)10(2)8-11(10,12)13/h3-8H2,1-2H3/t10-/m0/s1.
What are the key properties of [(1S)-2,2-difluoro-1-methylcyclopropyl]-(4-ethylpiperazin-1-yl)methanone?
[(1S)-2,2-difluoro-1-methylcyclopropyl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 232.27 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2,2-difluoro-1-methylcyclopropyl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 129261388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).