(3E)-3-(fluoromethylidene)pyrrolidine

C5H8FN — CID 126638464

IUPAC(3E)-3-(fluoromethylidene)pyrrolidine
SMILESF/C=C1\CCNC1
InChIInChI=1S/C5H8FN/c6-3-5-1-2-7-4-5/h3,7H,1-2,4H2/b5-3+
InChIKeyXBMTWECWNWQXBN-HWKANZROSA-N
MW101.12 g/mol
LogP0.83
Rot. Bonds

About (3E)-3-(fluoromethylidene)pyrrolidine

(3E)-3-(fluoromethylidene)pyrrolidine (PubChem CID 126638464) has the molecular formula C5H8FN and a molecular weight of 101.12 g/mol. Its IUPAC name is (3E)-3-(fluoromethylidene)pyrrolidine.

Molecular Properties

Compound Name(3E)-3-(fluoromethylidene)pyrrolidine
PubChem CID126638464
Molecular FormulaC5H8FN
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC Name(3E)-3-(fluoromethylidene)pyrrolidine
SMILESF/C=C1\CCNC1
InChIInChI=1S/C5H8FN/c6-3-5-1-2-7-4-5/h3,7H,1-2,4H2/b5-3+
InChIKeyXBMTWECWNWQXBN-HWKANZROSA-N
XLogP0.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.12
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(Difluoromethylidene)pyrrolidine hydrochloride
CID 165951323
3-Methylidenepyrrolidine
CID 10510810
3,4-Dimethylenepyrrolidine
CID 21835032
3-(Fluoromethyl)-4-methylidenepyrrolidine
CID 22960029
3-Fluoro-4-methylidenepyrrolidine
CID 123961396
(3R)-3-fluoro-4-methylidenepyrrolidine
CID 130322624
(3Z)-3-(2,2,2-trifluoroethylidene)pyrrolidine
CID 155160725
(3E)-3-(2,2,2-trifluoroethylidene)pyrrolidine
CID 155160950
N-ethyl-4-fluoro-2-methylidenebutan-1-amine
CID 155190251
3-(Difluoromethylidene)pyrrolidine
CID 162535187
4-fluoro-2-methylidene-N-propylbutan-1-amine
CID 169605943
3-(Fluoromethylene)pyrrolidine
CID 170624394

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(fluoromethylidene)pyrrolidine?
The IUPAC name of (3E)-3-(fluoromethylidene)pyrrolidine (CID 126638464) is (3E)-3-(fluoromethylidene)pyrrolidine.
What is the SMILES notation for (3E)-3-(fluoromethylidene)pyrrolidine?
The canonical SMILES for (3E)-3-(fluoromethylidene)pyrrolidine is F/C=C1\CCNC1.
What is the InChIKey of (3E)-3-(fluoromethylidene)pyrrolidine?
The InChIKey is XBMTWECWNWQXBN-HWKANZROSA-N. The full InChI is InChI=1S/C5H8FN/c6-3-5-1-2-7-4-5/h3,7H,1-2,4H2/b5-3+.
What are the key properties of (3E)-3-(fluoromethylidene)pyrrolidine?
(3E)-3-(fluoromethylidene)pyrrolidine has a molecular weight of 101.12 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(fluoromethylidene)pyrrolidine is sourced from PubChem (CID 126638464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).