(4E)-4-(1-fluoroethylidene)-1,2-di(propan-2-yl)pyrrolidine

C12H22FN — CID 175612304

IUPAC(4E)-4-(1-fluoroethylidene)-1,2-di(propan-2-yl)pyrrolidine
SMILESC/C(F)=C1/CC(C(C)C)N(C(C)C)C1
InChIInChI=1S/C12H22FN/c1-8(2)12-6-11(10(5)13)7-14(12)9(3)4/h8-9,12H,6-7H2,1-5H3/b11-10+
InChIKeyDQNMXQNYCPABMZ-ZHACJKMWSA-N
MW199.31 g/mol
LogP3.37
Rot. Bonds2

About (4E)-4-(1-fluoroethylidene)-1,2-di(propan-2-yl)pyrrolidine

(4E)-4-(1-fluoroethylidene)-1,2-di(propan-2-yl)pyrrolidine (PubChem CID 175612304) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is (4E)-4-(1-fluoroethylidene)-1,2-di(propan-2-yl)pyrrolidine.

Molecular Properties

Compound Name(4E)-4-(1-fluoroethylidene)-1,2-di(propan-2-yl)pyrrolidine
PubChem CID175612304
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC Name(4E)-4-(1-fluoroethylidene)-1,2-di(propan-2-yl)pyrrolidine
SMILESC/C(F)=C1/CC(C(C)C)N(C(C)C)C1
InChIInChI=1S/C12H22FN/c1-8(2)12-6-11(10(5)13)7-14(12)9(3)4/h8-9,12H,6-7H2,1-5H3/b11-10+
InChIKeyDQNMXQNYCPABMZ-ZHACJKMWSA-N
XLogP3.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-Difluorocyclohex-2-en-1-yl)-3-methylpyrrolidine
CID 69626988
3-ethyl-1-[[(4R)-4-fluorocyclohexen-1-yl]methyl]-2-methylpyrrolidine
CID 71132743
3-But-2-en-2-yl-4-fluoro-1-propan-2-ylpyrrolidine
CID 123887053
4-(Difluoromethylidene)-1,2-di(propan-2-yl)pyrrolidine
CID 130232269
2-[(E)-4-fluoropent-3-en-2-yl]-1-methylpyrrolidine
CID 146476928
(4E)-4-(fluoromethylidene)-1-methyl-2-(2-methylpropyl)pyrrolidine
CID 162730758
(4Z)-4-(fluoromethylidene)-1-methyl-2-propan-2-ylpyrrolidine
CID 163514840
(4E)-4-(fluoromethylidene)-1-methyl-2-propan-2-ylpyrrolidine
CID 164062077
4-fluoro-1-methyl-2-[(E)-4-methylpent-2-en-2-yl]pyrrolidine
CID 164922213
4-fluoro-1-methyl-2-[(E)-3-methylpent-1-enyl]pyrrolidine
CID 164922218
(4Z)-4-(fluoromethylidene)-1-methyl-2-(2-methylpropyl)pyrrolidine
CID 166984290
(6S)-5-fluoro-4,7-dimethyl-7-azabicyclo[4.2.1]non-4-ene
CID 169805463

Frequently Asked Questions

What is the IUPAC name of (4E)-4-(1-fluoroethylidene)-1,2-di(propan-2-yl)pyrrolidine?
The IUPAC name of (4E)-4-(1-fluoroethylidene)-1,2-di(propan-2-yl)pyrrolidine (CID 175612304) is (4E)-4-(1-fluoroethylidene)-1,2-di(propan-2-yl)pyrrolidine.
What is the SMILES notation for (4E)-4-(1-fluoroethylidene)-1,2-di(propan-2-yl)pyrrolidine?
The canonical SMILES for (4E)-4-(1-fluoroethylidene)-1,2-di(propan-2-yl)pyrrolidine is C/C(F)=C1/CC(C(C)C)N(C(C)C)C1.
What is the InChIKey of (4E)-4-(1-fluoroethylidene)-1,2-di(propan-2-yl)pyrrolidine?
The InChIKey is DQNMXQNYCPABMZ-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H22FN/c1-8(2)12-6-11(10(5)13)7-14(12)9(3)4/h8-9,12H,6-7H2,1-5H3/b11-10+.
What are the key properties of (4E)-4-(1-fluoroethylidene)-1,2-di(propan-2-yl)pyrrolidine?
(4E)-4-(1-fluoroethylidene)-1,2-di(propan-2-yl)pyrrolidine has a molecular weight of 199.31 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(1-fluoroethylidene)-1,2-di(propan-2-yl)pyrrolidine is sourced from PubChem (CID 175612304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).