2-(7-fluoro-3,4-dihydro-2H-chromen-3-yl)pyrrolidine

C13H16FNO — CID 105477601

IUPAC2-(7-fluoro-3,4-dihydro-2H-chromen-3-yl)pyrrolidine
SMILESFc1ccc2c(c1)OCC(C1CCCN1)C2
InChIInChI=1S/C13H16FNO/c14-11-4-3-9-6-10(8-16-13(9)7-11)12-2-1-5-15-12/h3-4,7,10,12,15H,1-2,5-6,8H2
InChIKeyNOYBCVFNYUNRFA-UHFFFAOYSA-N
MW221.27 g/mol
LogP2.13
Rot. Bonds1

About 2-(7-fluoro-3,4-dihydro-2H-chromen-3-yl)pyrrolidine

2-(7-fluoro-3,4-dihydro-2H-chromen-3-yl)pyrrolidine (PubChem CID 105477601) has the molecular formula C13H16FNO and a molecular weight of 221.27 g/mol. Its IUPAC name is 2-(7-fluoro-3,4-dihydro-2H-chromen-3-yl)pyrrolidine.

Molecular Properties

Compound Name2-(7-fluoro-3,4-dihydro-2H-chromen-3-yl)pyrrolidine
PubChem CID105477601
Molecular FormulaC13H16FNO
Molecular Weight221.27 g/mol
Exact Mass221.12
IUPAC Name2-(7-fluoro-3,4-dihydro-2H-chromen-3-yl)pyrrolidine
SMILESFc1ccc2c(c1)OCC(C1CCCN1)C2
InChIInChI=1S/C13H16FNO/c14-11-4-3-9-6-10(8-16-13(9)7-11)12-2-1-5-15-12/h3-4,7,10,12,15H,1-2,5-6,8H2
InChIKeyNOYBCVFNYUNRFA-UHFFFAOYSA-N
XLogP2.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-chloro-3,4-dihydro-2H-chromen-3-yl)pyrrolidine
CID 105499907
(2R)-2-[(1R)-6-fluoro-3,4-dihydro-1H-isochromen-1-yl]pyrrolidine
CID 122456753
(3R)-3-(6-fluoro-2,3-dihydro-1-benzofuran-3-yl)piperidine
CID 176569512
6-fluoro-3-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene
CID 143211285
2-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine
CID 105497348
(2S)-2-[(1R)-6-fluoro-4-methyl-3,4-dihydro-1H-isochromen-1-yl]pyrrolidine
CID 134399594
(2-chloro-4-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259329
6-fluoro-2-piperidin-3-yl-2,3-dihydro-1H-indole
CID 70221565
1-[(2-chloro-4-fluorophenyl)methyl]-4-pyrrolidin-2-ylpiperidine
CID 63259218
4-fluoro-2-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]phenol
CID 104869103
1-(2-chloro-4-fluorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714306
2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidine
CID 66361100

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-3,4-dihydro-2H-chromen-3-yl)pyrrolidine?
The IUPAC name of 2-(7-fluoro-3,4-dihydro-2H-chromen-3-yl)pyrrolidine (CID 105477601) is 2-(7-fluoro-3,4-dihydro-2H-chromen-3-yl)pyrrolidine.
What is the SMILES notation for 2-(7-fluoro-3,4-dihydro-2H-chromen-3-yl)pyrrolidine?
The canonical SMILES for 2-(7-fluoro-3,4-dihydro-2H-chromen-3-yl)pyrrolidine is Fc1ccc2c(c1)OCC(C1CCCN1)C2.
What is the InChIKey of 2-(7-fluoro-3,4-dihydro-2H-chromen-3-yl)pyrrolidine?
The InChIKey is NOYBCVFNYUNRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c14-11-4-3-9-6-10(8-16-13(9)7-11)12-2-1-5-15-12/h3-4,7,10,12,15H,1-2,5-6,8H2.
What are the key properties of 2-(7-fluoro-3,4-dihydro-2H-chromen-3-yl)pyrrolidine?
2-(7-fluoro-3,4-dihydro-2H-chromen-3-yl)pyrrolidine has a molecular weight of 221.27 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-3,4-dihydro-2H-chromen-3-yl)pyrrolidine is sourced from PubChem (CID 105477601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).