(2S,4E)-4-(fluoromethylidene)-2-(methoxymethyl)-1,2-dimethylpyrrolidine

C9H16FNO — CID 177009760

IUPAC(2S,4E)-4-(fluoromethylidene)-2-(methoxymethyl)-1,2-dimethylpyrrolidine
SMILESCOC[C@]1(C)C/C(=C\F)CN1C
InChIInChI=1S/C9H16FNO/c1-9(7-12-3)4-8(5-10)6-11(9)2/h5H,4,6-7H2,1-3H3/b8-5+/t9-/m0/s1
InChIKeyYNSKSXMECZWCHQ-QRJSTWQJSA-N
MW173.23 g/mol
LogP1.58
Rot. Bonds2

About (2S,4E)-4-(fluoromethylidene)-2-(methoxymethyl)-1,2-dimethylpyrrolidine

(2S,4E)-4-(fluoromethylidene)-2-(methoxymethyl)-1,2-dimethylpyrrolidine (PubChem CID 177009760) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is (2S,4E)-4-(fluoromethylidene)-2-(methoxymethyl)-1,2-dimethylpyrrolidine.

Molecular Properties

Compound Name(2S,4E)-4-(fluoromethylidene)-2-(methoxymethyl)-1,2-dimethylpyrrolidine
PubChem CID177009760
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name(2S,4E)-4-(fluoromethylidene)-2-(methoxymethyl)-1,2-dimethylpyrrolidine
SMILESCOC[C@]1(C)C/C(=C\F)CN1C
InChIInChI=1S/C9H16FNO/c1-9(7-12-3)4-8(5-10)6-11(9)2/h5H,4,6-7H2,1-3H3/b8-5+/t9-/m0/s1
InChIKeyYNSKSXMECZWCHQ-QRJSTWQJSA-N
XLogP1.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4E)-4-(fluoromethylidene)-2-(methoxymethyl)-1,2-dimethylpyrrolidine?
The IUPAC name of (2S,4E)-4-(fluoromethylidene)-2-(methoxymethyl)-1,2-dimethylpyrrolidine (CID 177009760) is (2S,4E)-4-(fluoromethylidene)-2-(methoxymethyl)-1,2-dimethylpyrrolidine.
What is the SMILES notation for (2S,4E)-4-(fluoromethylidene)-2-(methoxymethyl)-1,2-dimethylpyrrolidine?
The canonical SMILES for (2S,4E)-4-(fluoromethylidene)-2-(methoxymethyl)-1,2-dimethylpyrrolidine is COC[C@]1(C)C/C(=C\F)CN1C.
What is the InChIKey of (2S,4E)-4-(fluoromethylidene)-2-(methoxymethyl)-1,2-dimethylpyrrolidine?
The InChIKey is YNSKSXMECZWCHQ-QRJSTWQJSA-N. The full InChI is InChI=1S/C9H16FNO/c1-9(7-12-3)4-8(5-10)6-11(9)2/h5H,4,6-7H2,1-3H3/b8-5+/t9-/m0/s1.
What are the key properties of (2S,4E)-4-(fluoromethylidene)-2-(methoxymethyl)-1,2-dimethylpyrrolidine?
(2S,4E)-4-(fluoromethylidene)-2-(methoxymethyl)-1,2-dimethylpyrrolidine has a molecular weight of 173.23 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4E)-4-(fluoromethylidene)-2-(methoxymethyl)-1,2-dimethylpyrrolidine is sourced from PubChem (CID 177009760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).