2-(3-chloro-5-fluorophenyl)-1-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylethanone

C19H19ClFNO2S — CID 163312171

IUPAC2-(3-chloro-5-fluorophenyl)-1-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylethanone
SMILESO=C(Cc1cc(F)cc(Cl)c1)N1CCC2(CC1)OCCc1ccsc12
InChIInChI=1S/C19H19ClFNO2S/c20-15-9-13(10-16(21)12-15)11-17(23)22-5-3-19(4-6-22)18-14(1-7-24-19)2-8-25-18/h2,8-10,12H,1,3-7,11H2
InChIKeyFAYKBSHICVLXMT-UHFFFAOYSA-N
MW379.88 g/mol
LogP4.17
Rot. Bonds2

About 2-(3-chloro-5-fluorophenyl)-1-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylethanone

2-(3-chloro-5-fluorophenyl)-1-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylethanone (PubChem CID 163312171) has the molecular formula C19H19ClFNO2S and a molecular weight of 379.88 g/mol. Its IUPAC name is 2-(3-chloro-5-fluorophenyl)-1-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylethanone.

Molecular Properties

Compound Name2-(3-chloro-5-fluorophenyl)-1-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylethanone
PubChem CID163312171
Molecular FormulaC19H19ClFNO2S
Molecular Weight379.88 g/mol
Exact Mass379.08
IUPAC Name2-(3-chloro-5-fluorophenyl)-1-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylethanone
SMILESO=C(Cc1cc(F)cc(Cl)c1)N1CCC2(CC1)OCCc1ccsc12
InChIInChI=1S/C19H19ClFNO2S/c20-15-9-13(10-16(21)12-15)11-17(23)22-5-3-19(4-6-22)18-14(1-7-24-19)2-8-25-18/h2,8-10,12H,1,3-7,11H2
InChIKeyFAYKBSHICVLXMT-UHFFFAOYSA-N
XLogP4.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.88
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-chloro-5-fluorophenyl)-1-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylethanone with MolForge

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Related Compounds

cyclopropyl(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone
CID 127770868
(2,3-difluorophenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 135101219
4-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carbonyl)benzenesulfonamide
CID 163309965
(5-propyl-1H-pyrazol-3-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 135102517
1'-(cyclopropylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 172905950
6-ethyl-1,5-dimethyl-3-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carbonyl)pyridin-2-one
CID 163304951
1'-[(2-chlorophenyl)methylsulfonyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 164690045
(4-methyl-1,3-oxazol-5-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 163304672
[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 135088326
spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 163305443
(2,4-dimethyl-1,3-thiazol-5-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 135095839
[(2S,4R)-4-hydroxypyrrolidin-2-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone;hydrochloride
CID 154918492

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluorophenyl)-1-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylethanone?
The IUPAC name of 2-(3-chloro-5-fluorophenyl)-1-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylethanone (CID 163312171) is 2-(3-chloro-5-fluorophenyl)-1-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylethanone.
What is the SMILES notation for 2-(3-chloro-5-fluorophenyl)-1-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylethanone?
The canonical SMILES for 2-(3-chloro-5-fluorophenyl)-1-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylethanone is O=C(Cc1cc(F)cc(Cl)c1)N1CCC2(CC1)OCCc1ccsc12.
What is the InChIKey of 2-(3-chloro-5-fluorophenyl)-1-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylethanone?
The InChIKey is FAYKBSHICVLXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFNO2S/c20-15-9-13(10-16(21)12-15)11-17(23)22-5-3-19(4-6-22)18-14(1-7-24-19)2-8-25-18/h2,8-10,12H,1,3-7,11H2.
What are the key properties of 2-(3-chloro-5-fluorophenyl)-1-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylethanone?
2-(3-chloro-5-fluorophenyl)-1-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylethanone has a molecular weight of 379.88 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluorophenyl)-1-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylethanone is sourced from PubChem (CID 163312171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).