(3E)-3-[(4-fluorophenyl)methylidene]pyrrolidine

C11H12FN — CID 66524773

IUPAC(3E)-3-[(4-fluorophenyl)methylidene]pyrrolidine
SMILESFc1ccc(/C=C2\CCNC2)cc1
InChIInChI=1S/C11H12FN/c12-11-3-1-9(2-4-11)7-10-5-6-13-8-10/h1-4,7,13H,5-6,8H2/b10-7+
InChIKeyQYHDJNMXBPWUMI-JXMROGBWSA-N
MW177.22 g/mol
LogP2.20
Rot. Bonds1

About (3E)-3-[(4-fluorophenyl)methylidene]pyrrolidine

(3E)-3-[(4-fluorophenyl)methylidene]pyrrolidine (PubChem CID 66524773) has the molecular formula C11H12FN and a molecular weight of 177.22 g/mol. Its IUPAC name is (3E)-3-[(4-fluorophenyl)methylidene]pyrrolidine.

Molecular Properties

Compound Name(3E)-3-[(4-fluorophenyl)methylidene]pyrrolidine
PubChem CID66524773
Molecular FormulaC11H12FN
Molecular Weight177.22 g/mol
Exact Mass177.10
IUPAC Name(3E)-3-[(4-fluorophenyl)methylidene]pyrrolidine
SMILESFc1ccc(/C=C2\CCNC2)cc1
InChIInChI=1S/C11H12FN/c12-11-3-1-9(2-4-11)7-10-5-6-13-8-10/h1-4,7,13H,5-6,8H2/b10-7+
InChIKeyQYHDJNMXBPWUMI-JXMROGBWSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-Ethylbenzylamine
CID 84352
4-Phenyl-1,2,3,6-tetrahydropyridine hydrochloride
CID 2723860
1,2,3,6-Tetrahydro-4-phenylpyridine
CID 82553
3-Phenylpyrrolidine
CID 3146743
N-Propylbenzylamine
CID 74850
4-(4-Fluorophenyl)-1,2,3,6-tetrahydropyridine hydrochloride
CID 197747
4-Fluoromethamphetamine
CID 11745017
4-(4-Fluoro-benzyl)-piperidine
CID 3699841
2-Phenylpyrrolidine
CID 261892
2-Fluoro-N-methylbenzylamine
CID 2060842
3-Fluoro-N,alpha-dimethylbenzeneethanamine
CID 58216164
Benzyl[(4-fluorophenyl)methyl]amine
CID 784761

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(4-fluorophenyl)methylidene]pyrrolidine?
The IUPAC name of (3E)-3-[(4-fluorophenyl)methylidene]pyrrolidine (CID 66524773) is (3E)-3-[(4-fluorophenyl)methylidene]pyrrolidine.
What is the SMILES notation for (3E)-3-[(4-fluorophenyl)methylidene]pyrrolidine?
The canonical SMILES for (3E)-3-[(4-fluorophenyl)methylidene]pyrrolidine is Fc1ccc(/C=C2\CCNC2)cc1.
What is the InChIKey of (3E)-3-[(4-fluorophenyl)methylidene]pyrrolidine?
The InChIKey is QYHDJNMXBPWUMI-JXMROGBWSA-N. The full InChI is InChI=1S/C11H12FN/c12-11-3-1-9(2-4-11)7-10-5-6-13-8-10/h1-4,7,13H,5-6,8H2/b10-7+.
What are the key properties of (3E)-3-[(4-fluorophenyl)methylidene]pyrrolidine?
(3E)-3-[(4-fluorophenyl)methylidene]pyrrolidine has a molecular weight of 177.22 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(4-fluorophenyl)methylidene]pyrrolidine is sourced from PubChem (CID 66524773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).