(4E)-2-ethyl-4-(fluoromethylidene)-2-propan-2-ylpyrrolidine

C10H18FN — CID 176954846

IUPAC(4E)-2-ethyl-4-(fluoromethylidene)-2-propan-2-ylpyrrolidine
SMILESCCC1(C(C)C)C/C(=C\F)CN1
InChIInChI=1S/C10H18FN/c1-4-10(8(2)3)5-9(6-11)7-12-10/h6,8,12H,4-5,7H2,1-3H3/b9-6+
InChIKeyOWMWWFPAKXFBCZ-RMKNXTFCSA-N
MW171.26 g/mol
LogP2.64
Rot. Bonds2

About (4E)-2-ethyl-4-(fluoromethylidene)-2-propan-2-ylpyrrolidine

(4E)-2-ethyl-4-(fluoromethylidene)-2-propan-2-ylpyrrolidine (PubChem CID 176954846) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is (4E)-2-ethyl-4-(fluoromethylidene)-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(4E)-2-ethyl-4-(fluoromethylidene)-2-propan-2-ylpyrrolidine
PubChem CID176954846
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name(4E)-2-ethyl-4-(fluoromethylidene)-2-propan-2-ylpyrrolidine
SMILESCCC1(C(C)C)C/C(=C\F)CN1
InChIInChI=1S/C10H18FN/c1-4-10(8(2)3)5-9(6-11)7-12-10/h6,8,12H,4-5,7H2,1-3H3/b9-6+
InChIKeyOWMWWFPAKXFBCZ-RMKNXTFCSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4E)-2-ethyl-4-(fluoromethylidene)-2-propan-2-ylpyrrolidine?
The IUPAC name of (4E)-2-ethyl-4-(fluoromethylidene)-2-propan-2-ylpyrrolidine (CID 176954846) is (4E)-2-ethyl-4-(fluoromethylidene)-2-propan-2-ylpyrrolidine.
What is the SMILES notation for (4E)-2-ethyl-4-(fluoromethylidene)-2-propan-2-ylpyrrolidine?
The canonical SMILES for (4E)-2-ethyl-4-(fluoromethylidene)-2-propan-2-ylpyrrolidine is CCC1(C(C)C)C/C(=C\F)CN1.
What is the InChIKey of (4E)-2-ethyl-4-(fluoromethylidene)-2-propan-2-ylpyrrolidine?
The InChIKey is OWMWWFPAKXFBCZ-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H18FN/c1-4-10(8(2)3)5-9(6-11)7-12-10/h6,8,12H,4-5,7H2,1-3H3/b9-6+.
What are the key properties of (4E)-2-ethyl-4-(fluoromethylidene)-2-propan-2-ylpyrrolidine?
(4E)-2-ethyl-4-(fluoromethylidene)-2-propan-2-ylpyrrolidine has a molecular weight of 171.26 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-ethyl-4-(fluoromethylidene)-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 176954846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).