(5S)-10-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane

C18H27FN2O2 — CID 97384841

IUPAC(5S)-10-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCOCCN1CC[C@]2(COCCN(Cc3ccc(F)cc3)C2)C1
InChIInChI=1S/C18H27FN2O2/c1-22-10-8-20-7-6-18(13-20)14-21(9-11-23-15-18)12-16-2-4-17(19)5-3-16/h2-5H,6-15H2,1H3/t18-/m0/s1
InChIKeyKVGVDOMBXFKKGP-SFHVURJKSA-N
MW322.42 g/mol
LogP2.00
Rot. Bonds5

About (5S)-10-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane

(5S)-10-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 97384841) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is (5S)-10-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name(5S)-10-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID97384841
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC Name(5S)-10-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCOCCN1CC[C@]2(COCCN(Cc3ccc(F)cc3)C2)C1
InChIInChI=1S/C18H27FN2O2/c1-22-10-8-20-7-6-18(13-20)14-21(9-11-23-15-18)12-16-2-4-17(19)5-3-16/h2-5H,6-15H2,1H3/t18-/m0/s1
InChIKeyKVGVDOMBXFKKGP-SFHVURJKSA-N
XLogP2.00
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-10-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of (5S)-10-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane (CID 97384841) is (5S)-10-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for (5S)-10-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for (5S)-10-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane is COCCN1CC[C@]2(COCCN(Cc3ccc(F)cc3)C2)C1.
What is the InChIKey of (5S)-10-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is KVGVDOMBXFKKGP-SFHVURJKSA-N. The full InChI is InChI=1S/C18H27FN2O2/c1-22-10-8-20-7-6-18(13-20)14-21(9-11-23-15-18)12-16-2-4-17(19)5-3-16/h2-5H,6-15H2,1H3/t18-/m0/s1.
What are the key properties of (5S)-10-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
(5S)-10-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 322.42 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-10-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 97384841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).