1-[(2S)-2-ethyl-4,4-difluoropyrrolidin-1-yl]-2-methylpropan-1-one

C10H17F2NO — CID 163934024

IUPAC1-[(2S)-2-ethyl-4,4-difluoropyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCC[C@H]1CC(F)(F)CN1C(=O)C(C)C
InChIInChI=1S/C10H17F2NO/c1-4-8-5-10(11,12)6-13(8)9(14)7(2)3/h7-8H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyRLDDFJIQJSCOLE-QMMMGPOBSA-N
MW205.25 g/mol
LogP2.29
Rot. Bonds2

About 1-[(2S)-2-ethyl-4,4-difluoropyrrolidin-1-yl]-2-methylpropan-1-one

1-[(2S)-2-ethyl-4,4-difluoropyrrolidin-1-yl]-2-methylpropan-1-one (PubChem CID 163934024) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 1-[(2S)-2-ethyl-4,4-difluoropyrrolidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-ethyl-4,4-difluoropyrrolidin-1-yl]-2-methylpropan-1-one
PubChem CID163934024
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name1-[(2S)-2-ethyl-4,4-difluoropyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCC[C@H]1CC(F)(F)CN1C(=O)C(C)C
InChIInChI=1S/C10H17F2NO/c1-4-8-5-10(11,12)6-13(8)9(14)7(2)3/h7-8H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyRLDDFJIQJSCOLE-QMMMGPOBSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-ethyl-4,4-difluoropyrrolidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[(2S)-2-ethyl-4,4-difluoropyrrolidin-1-yl]-2-methylpropan-1-one (CID 163934024) is 1-[(2S)-2-ethyl-4,4-difluoropyrrolidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[(2S)-2-ethyl-4,4-difluoropyrrolidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[(2S)-2-ethyl-4,4-difluoropyrrolidin-1-yl]-2-methylpropan-1-one is CC[C@H]1CC(F)(F)CN1C(=O)C(C)C.
What is the InChIKey of 1-[(2S)-2-ethyl-4,4-difluoropyrrolidin-1-yl]-2-methylpropan-1-one?
The InChIKey is RLDDFJIQJSCOLE-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-4-8-5-10(11,12)6-13(8)9(14)7(2)3/h7-8H,4-6H2,1-3H3/t8-/m0/s1.
What are the key properties of 1-[(2S)-2-ethyl-4,4-difluoropyrrolidin-1-yl]-2-methylpropan-1-one?
1-[(2S)-2-ethyl-4,4-difluoropyrrolidin-1-yl]-2-methylpropan-1-one has a molecular weight of 205.25 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-ethyl-4,4-difluoropyrrolidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 163934024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).