3-(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)piperidine

C14H17F2NO — CID 117385756

IUPAC3-(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)piperidine
SMILESFc1cc(F)c(C2CCCNC2)c2c1CCCO2
InChIInChI=1S/C14H17F2NO/c15-11-7-12(16)13(9-3-1-5-17-8-9)14-10(11)4-2-6-18-14/h7,9,17H,1-6,8H2
InChIKeyHTRAKYVZTXKKFP-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.76
Rot. Bonds1

About 3-(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)piperidine

3-(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)piperidine (PubChem CID 117385756) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is 3-(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)piperidine.

Molecular Properties

Compound Name3-(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)piperidine
PubChem CID117385756
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name3-(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)piperidine
SMILESFc1cc(F)c(C2CCCNC2)c2c1CCCO2
InChIInChI=1S/C14H17F2NO/c15-11-7-12(16)13(9-3-1-5-17-8-9)14-10(11)4-2-6-18-14/h7,9,17H,1-6,8H2
InChIKeyHTRAKYVZTXKKFP-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4,6-difluoro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine
CID 117322941
3-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)pyrrolidine
CID 115010130
3-(8-fluoro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)piperidine
CID 117451438
2-(4,6-difluoro-2,3-dihydro-1-benzofuran-7-yl)morpholine
CID 117354578
3-(10-methyl-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)pyrrolidine
CID 115010129
8-chloro-6-piperidin-3-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 117456067
2-chloro-3,5-difluoro-4-piperidin-3-ylphenol
CID 117372322
(2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine
CID 66519564
3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)piperidine
CID 117423076
3-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine
CID 117371269
(2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine
CID 66519325
3-(2,3,4,5-tetrafluorophenyl)piperidine
CID 117116503

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)piperidine?
The IUPAC name of 3-(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)piperidine (CID 117385756) is 3-(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)piperidine.
What is the SMILES notation for 3-(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)piperidine?
The canonical SMILES for 3-(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)piperidine is Fc1cc(F)c(C2CCCNC2)c2c1CCCO2.
What is the InChIKey of 3-(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)piperidine?
The InChIKey is HTRAKYVZTXKKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO/c15-11-7-12(16)13(9-3-1-5-17-8-9)14-10(11)4-2-6-18-14/h7,9,17H,1-6,8H2.
What are the key properties of 3-(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)piperidine?
3-(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)piperidine has a molecular weight of 253.29 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)piperidine is sourced from PubChem (CID 117385756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).