7-[(4-fluorophenyl)methoxy]-1'-(2,2,2-trifluoroethyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]

C23H25F4NO — CID 23361022

IUPAC7-[(4-fluorophenyl)methoxy]-1'-(2,2,2-trifluoroethyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]
SMILESFc1ccc(COc2ccc3c(c2)CCC2(CCCCN2CC(F)(F)F)C3)cc1
InChIInChI=1S/C23H25F4NO/c24-20-6-3-17(4-7-20)15-29-21-8-5-19-14-22(11-9-18(19)13-21)10-1-2-12-28(22)16-23(25,26)27/h3-8,13H,1-2,9-12,14-16H2
InChIKeyUJQHBFGJWWHJPG-UHFFFAOYSA-N
MW407.45 g/mol
LogP5.68
Rot. Bonds4

About 7-[(4-fluorophenyl)methoxy]-1'-(2,2,2-trifluoroethyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]

7-[(4-fluorophenyl)methoxy]-1'-(2,2,2-trifluoroethyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine] (PubChem CID 23361022) has the molecular formula C23H25F4NO and a molecular weight of 407.45 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methoxy]-1'-(2,2,2-trifluoroethyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine].

Molecular Properties

Compound Name7-[(4-fluorophenyl)methoxy]-1'-(2,2,2-trifluoroethyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]
PubChem CID23361022
Molecular FormulaC23H25F4NO
Molecular Weight407.45 g/mol
Exact Mass407.19
IUPAC Name7-[(4-fluorophenyl)methoxy]-1'-(2,2,2-trifluoroethyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]
SMILESFc1ccc(COc2ccc3c(c2)CCC2(CCCCN2CC(F)(F)F)C3)cc1
InChIInChI=1S/C23H25F4NO/c24-20-6-3-17(4-7-20)15-29-21-8-5-19-14-22(11-9-18(19)13-21)10-1-2-12-28(22)16-23(25,26)27/h3-8,13H,1-2,9-12,14-16H2
InChIKeyUJQHBFGJWWHJPG-UHFFFAOYSA-N
XLogP5.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.45
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-[(4-fluorophenyl)methoxy]-1'-(2,2,2-trifluoroethyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine] with MolForge

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Related Compounds

1'-butyl-7-[(4-fluorophenyl)methoxy]spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]
CID 23361189
1-(4-fluorophenoxy)-3-[7-(naphthalen-2-ylmethoxy)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl]propan-2-ol
CID 23361193
7-[(4-fluorophenyl)methoxy]spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine];hydrochloride
CID 23361058
1'-propyl-7-[[2-(trifluoromethyl)phenyl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]
CID 23361160
7-[(2-chlorophenyl)methoxy]-1'-ethylspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]
CID 23361086
7-[(2-chlorophenyl)methoxy]-1'-(3-phenylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine];hydrochloride
CID 23361140
7-[(3-fluorophenyl)methoxy]-2-oxido-1,3,4,5-tetrahydro-2-benzazepine
CID 11437671
1-(4-bromophenyl)-1-(difluoromethyl)-2-(2-fluoro-2-methylpropyl)-6-phenylmethoxy-3,4-dihydroisoquinoline
CID 131989040
N-[2-[[1-[1-(4-fluorophenyl)cyclobutyl]-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethyl]propane-1-sulfonamide
CID 66869222
4-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzonitrile
CID 61398915
N-[2-[6-[(4-fluorophenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]prop-2-enamide
CID 166411516
1-[4-(7-azaspiro[3.5]nonan-2-yloxy)-2,6-difluorophenyl]-6-phenylmethoxy-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline
CID 164924250

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methoxy]-1'-(2,2,2-trifluoroethyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]?
The IUPAC name of 7-[(4-fluorophenyl)methoxy]-1'-(2,2,2-trifluoroethyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine] (CID 23361022) is 7-[(4-fluorophenyl)methoxy]-1'-(2,2,2-trifluoroethyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine].
What is the SMILES notation for 7-[(4-fluorophenyl)methoxy]-1'-(2,2,2-trifluoroethyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]?
The canonical SMILES for 7-[(4-fluorophenyl)methoxy]-1'-(2,2,2-trifluoroethyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine] is Fc1ccc(COc2ccc3c(c2)CCC2(CCCCN2CC(F)(F)F)C3)cc1.
What is the InChIKey of 7-[(4-fluorophenyl)methoxy]-1'-(2,2,2-trifluoroethyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]?
The InChIKey is UJQHBFGJWWHJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F4NO/c24-20-6-3-17(4-7-20)15-29-21-8-5-19-14-22(11-9-18(19)13-21)10-1-2-12-28(22)16-23(25,26)27/h3-8,13H,1-2,9-12,14-16H2.
What are the key properties of 7-[(4-fluorophenyl)methoxy]-1'-(2,2,2-trifluoroethyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]?
7-[(4-fluorophenyl)methoxy]-1'-(2,2,2-trifluoroethyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine] has a molecular weight of 407.45 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methoxy]-1'-(2,2,2-trifluoroethyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine] is sourced from PubChem (CID 23361022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).