3-[[4-(fluoromethyl)phenyl]methyl]pyrrolidine

C12H16FN — CID 84665010

IUPAC3-[[4-(fluoromethyl)phenyl]methyl]pyrrolidine
SMILESFCc1ccc(CC2CCNC2)cc1
InChIInChI=1S/C12H16FN/c13-8-11-3-1-10(2-4-11)7-12-5-6-14-9-12/h1-4,12,14H,5-9H2
InChIKeyIJAYXTYQUNTGRN-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.31
Rot. Bonds3

About 3-[[4-(fluoromethyl)phenyl]methyl]pyrrolidine

3-[[4-(fluoromethyl)phenyl]methyl]pyrrolidine (PubChem CID 84665010) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is 3-[[4-(fluoromethyl)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name3-[[4-(fluoromethyl)phenyl]methyl]pyrrolidine
PubChem CID84665010
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name3-[[4-(fluoromethyl)phenyl]methyl]pyrrolidine
SMILESFCc1ccc(CC2CCNC2)cc1
InChIInChI=1S/C12H16FN/c13-8-11-3-1-10(2-4-11)7-12-5-6-14-9-12/h1-4,12,14H,5-9H2
InChIKeyIJAYXTYQUNTGRN-UHFFFAOYSA-N
XLogP2.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(fluoromethyl)phenyl]methyl]pyrrolidine?
The IUPAC name of 3-[[4-(fluoromethyl)phenyl]methyl]pyrrolidine (CID 84665010) is 3-[[4-(fluoromethyl)phenyl]methyl]pyrrolidine.
What is the SMILES notation for 3-[[4-(fluoromethyl)phenyl]methyl]pyrrolidine?
The canonical SMILES for 3-[[4-(fluoromethyl)phenyl]methyl]pyrrolidine is FCc1ccc(CC2CCNC2)cc1.
What is the InChIKey of 3-[[4-(fluoromethyl)phenyl]methyl]pyrrolidine?
The InChIKey is IJAYXTYQUNTGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c13-8-11-3-1-10(2-4-11)7-12-5-6-14-9-12/h1-4,12,14H,5-9H2.
What are the key properties of 3-[[4-(fluoromethyl)phenyl]methyl]pyrrolidine?
3-[[4-(fluoromethyl)phenyl]methyl]pyrrolidine has a molecular weight of 193.27 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(fluoromethyl)phenyl]methyl]pyrrolidine is sourced from PubChem (CID 84665010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).