(4-fluorophenyl)-[(7R)-7-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone

C20H19F2NO2 — CID 124989124

IUPAC(4-fluorophenyl)-[(7R)-7-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CC2(CO[C@H](Cc3cccc(F)c3)C2)C1
InChIInChI=1S/C20H19F2NO2/c21-16-6-4-15(5-7-16)19(24)23-11-20(12-23)10-18(25-13-20)9-14-2-1-3-17(22)8-14/h1-8,18H,9-13H2/t18-/m1/s1
InChIKeyOSBVIGCQNCMXBB-GOSISDBHSA-N
MW343.37 g/mol
LogP3.44
Rot. Bonds3

About (4-fluorophenyl)-[(7R)-7-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone

(4-fluorophenyl)-[(7R)-7-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone (PubChem CID 124989124) has the molecular formula C20H19F2NO2 and a molecular weight of 343.37 g/mol. Its IUPAC name is (4-fluorophenyl)-[(7R)-7-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(7R)-7-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone
PubChem CID124989124
Molecular FormulaC20H19F2NO2
Molecular Weight343.37 g/mol
Exact Mass343.14
IUPAC Name(4-fluorophenyl)-[(7R)-7-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CC2(CO[C@H](Cc3cccc(F)c3)C2)C1
InChIInChI=1S/C20H19F2NO2/c21-16-6-4-15(5-7-16)19(24)23-11-20(12-23)10-18(25-13-20)9-14-2-1-3-17(22)8-14/h1-8,18H,9-13H2/t18-/m1/s1
InChIKeyOSBVIGCQNCMXBB-GOSISDBHSA-N
XLogP3.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl-[(7R)-7-(pyrimidin-5-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 125009346
3-[(3-fluorophenyl)methyl]-8-methyl-2-oxa-8-azaspiro[4.5]decane
CID 110138342
(4-methoxyphenyl)-[7-(pyrimidin-5-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 127252504
[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-[(3S)-3-[(3-fluorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 129458544
2-[(3-fluorophenyl)methyl]-7-(pyrimidin-5-ylmethyl)-6-oxa-2-azaspiro[3.4]octane
CID 110138596
(3R)-1-(4-fluorobenzoyl)-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95087682
1-(4-fluorobenzoyl)-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 53117206
(7R)-2-[(1-ethylimidazol-2-yl)methyl]-7-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[3.4]octane
CID 125000857
(4-fluorophenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 124942356
7-[(3-fluorophenyl)methyl]-2-[(1-propan-2-ylimidazol-2-yl)methyl]-6-oxa-2-azaspiro[3.4]octane
CID 155984117
(3,4-dimethoxyphenyl)-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone
CID 45238113
(3S)-3-[(3-fluorophenyl)methyl]-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane
CID 125004078

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(7R)-7-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(7R)-7-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone (CID 124989124) is (4-fluorophenyl)-[(7R)-7-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(7R)-7-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(7R)-7-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone is O=C(c1ccc(F)cc1)N1CC2(CO[C@H](Cc3cccc(F)c3)C2)C1.
What is the InChIKey of (4-fluorophenyl)-[(7R)-7-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
The InChIKey is OSBVIGCQNCMXBB-GOSISDBHSA-N. The full InChI is InChI=1S/C20H19F2NO2/c21-16-6-4-15(5-7-16)19(24)23-11-20(12-23)10-18(25-13-20)9-14-2-1-3-17(22)8-14/h1-8,18H,9-13H2/t18-/m1/s1.
What are the key properties of (4-fluorophenyl)-[(7R)-7-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
(4-fluorophenyl)-[(7R)-7-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone has a molecular weight of 343.37 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(7R)-7-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone is sourced from PubChem (CID 124989124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).