ethane;3-fluoro-3-methylpyrrolidin-2-one

C7H14FNO — CID 164536225

IUPACethane;3-fluoro-3-methylpyrrolidin-2-one
SMILESCC.CC1(F)CCNC1=O
InChIInChI=1S/C5H8FNO.C2H6/c1-5(6)2-3-7-4(5)8;1-2/h2-3H2,1H3,(H,7,8);1-2H3
InChIKeyHHYKPKOXHLMQNO-UHFFFAOYSA-N
MW147.19 g/mol
LogP1.26
Rot. Bonds

About ethane;3-fluoro-3-methylpyrrolidin-2-one

ethane;3-fluoro-3-methylpyrrolidin-2-one (PubChem CID 164536225) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is ethane;3-fluoro-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Nameethane;3-fluoro-3-methylpyrrolidin-2-one
PubChem CID164536225
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Nameethane;3-fluoro-3-methylpyrrolidin-2-one
SMILESCC.CC1(F)CCNC1=O
InChIInChI=1S/C5H8FNO.C2H6/c1-5(6)2-3-7-4(5)8;1-2/h2-3H2,1H3,(H,7,8);1-2H3
InChIKeyHHYKPKOXHLMQNO-UHFFFAOYSA-N
XLogP1.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;3-fluoro-3-methylpyrrolidin-2-one?
The IUPAC name of ethane;3-fluoro-3-methylpyrrolidin-2-one (CID 164536225) is ethane;3-fluoro-3-methylpyrrolidin-2-one.
What is the SMILES notation for ethane;3-fluoro-3-methylpyrrolidin-2-one?
The canonical SMILES for ethane;3-fluoro-3-methylpyrrolidin-2-one is CC.CC1(F)CCNC1=O.
What is the InChIKey of ethane;3-fluoro-3-methylpyrrolidin-2-one?
The InChIKey is HHYKPKOXHLMQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO.C2H6/c1-5(6)2-3-7-4(5)8;1-2/h2-3H2,1H3,(H,7,8);1-2H3.
What are the key properties of ethane;3-fluoro-3-methylpyrrolidin-2-one?
ethane;3-fluoro-3-methylpyrrolidin-2-one has a molecular weight of 147.19 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-fluoro-3-methylpyrrolidin-2-one is sourced from PubChem (CID 164536225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).