2-[[4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]pyrrolidine

C20H20FNO — CID 174697809

IUPAC2-[[4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]pyrrolidine
SMILESFc1ccc(C2=C(CC3CCCN3)COc3ccccc32)cc1
InChIInChI=1S/C20H20FNO/c21-16-9-7-14(8-10-16)20-15(12-17-4-3-11-22-17)13-23-19-6-2-1-5-18(19)20/h1-2,5-10,17,22H,3-4,11-13H2
InChIKeyZYVZZNPWKVYRPF-UHFFFAOYSA-N
MW309.38 g/mol
LogP4.16
Rot. Bonds3

About 2-[[4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]pyrrolidine

2-[[4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]pyrrolidine (PubChem CID 174697809) has the molecular formula C20H20FNO and a molecular weight of 309.38 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]pyrrolidine.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]pyrrolidine
PubChem CID174697809
Molecular FormulaC20H20FNO
Molecular Weight309.38 g/mol
Exact Mass309.15
IUPAC Name2-[[4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]pyrrolidine
SMILESFc1ccc(C2=C(CC3CCCN3)COc3ccccc32)cc1
InChIInChI=1S/C20H20FNO/c21-16-9-7-14(8-10-16)20-15(12-17-4-3-11-22-17)13-23-19-6-2-1-5-18(19)20/h1-2,5-10,17,22H,3-4,11-13H2
InChIKeyZYVZZNPWKVYRPF-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 112654463
4-(4-fluorophenyl)-5-(piperidin-2-ylmethyl)-1,2-oxazole
CID 115053954
4-(2-fluorophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 112679327
4-(2-methylphenyl)-5-(pyrrolidin-2-ylmethyl)-1H-pyrazole
CID 115053743
4-methyl-2-[4-(pyrrolidin-2-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 117363098
2-fluoro-N,N-dimethyl-6-(pyrrolidin-2-ylmethyl)aniline
CID 117118269
4-fluoro-2-(pyrrolidin-2-ylmethyl)phenol
CID 82606248
2-[(6-fluoro-1,3-benzodioxol-5-yl)methyl]pyrrolidine
CID 117319529
(2S)-2-[(2-phenylphenoxy)methyl]pyrrolidine
CID 28750068
2-ethylpyrrolidine;7-fluoro-6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene
CID 23339515
1-[[6-(cyclopropylmethoxy)-4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]pyrrolidine
CID 122470261
2-[[4-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidine
CID 115053619

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]pyrrolidine?
The IUPAC name of 2-[[4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]pyrrolidine (CID 174697809) is 2-[[4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]pyrrolidine.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]pyrrolidine?
The canonical SMILES for 2-[[4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]pyrrolidine is Fc1ccc(C2=C(CC3CCCN3)COc3ccccc32)cc1.
What is the InChIKey of 2-[[4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]pyrrolidine?
The InChIKey is ZYVZZNPWKVYRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO/c21-16-9-7-14(8-10-16)20-15(12-17-4-3-11-22-17)13-23-19-6-2-1-5-18(19)20/h1-2,5-10,17,22H,3-4,11-13H2.
What are the key properties of 2-[[4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]pyrrolidine?
2-[[4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]pyrrolidine has a molecular weight of 309.38 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]pyrrolidine is sourced from PubChem (CID 174697809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).