2-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)methyl]pyrrolidine

C14H18FNO — CID 105496479

IUPAC2-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)methyl]pyrrolidine
SMILESFc1ccc2c(c1)C(CC1CCCN1)CCO2
InChIInChI=1S/C14H18FNO/c15-11-3-4-14-13(9-11)10(5-7-17-14)8-12-2-1-6-16-12/h3-4,9-10,12,16H,1-2,5-8H2
InChIKeyBKOUBFGYYNIJGX-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.83
Rot. Bonds2

About 2-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)methyl]pyrrolidine

2-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)methyl]pyrrolidine (PubChem CID 105496479) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)methyl]pyrrolidine
PubChem CID105496479
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name2-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)methyl]pyrrolidine
SMILESFc1ccc2c(c1)C(CC1CCCN1)CCO2
InChIInChI=1S/C14H18FNO/c15-11-3-4-14-13(9-11)10(5-7-17-14)8-12-2-1-6-16-12/h3-4,9-10,12,16H,1-2,5-8H2
InChIKeyBKOUBFGYYNIJGX-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)methyl]pyrrolidine?
The IUPAC name of 2-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)methyl]pyrrolidine (CID 105496479) is 2-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)methyl]pyrrolidine?
The canonical SMILES for 2-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)methyl]pyrrolidine is Fc1ccc2c(c1)C(CC1CCCN1)CCO2.
What is the InChIKey of 2-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)methyl]pyrrolidine?
The InChIKey is BKOUBFGYYNIJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c15-11-3-4-14-13(9-11)10(5-7-17-14)8-12-2-1-6-16-12/h3-4,9-10,12,16H,1-2,5-8H2.
What are the key properties of 2-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)methyl]pyrrolidine?
2-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)methyl]pyrrolidine has a molecular weight of 235.30 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)methyl]pyrrolidine is sourced from PubChem (CID 105496479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).