(4S)-4-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane

C16H22FNO — CID 99728057

IUPAC(4S)-4-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane
SMILESFc1ccc(C[C@H]2CCOC3(CCNCC3)C2)cc1
InChIInChI=1S/C16H22FNO/c17-15-3-1-13(2-4-15)11-14-5-10-19-16(12-14)6-8-18-9-7-16/h1-4,14,18H,5-12H2/t14-/m1/s1
InChIKeySFKXZKNNYJZWQL-CQSZACIVSA-N
MW263.36 g/mol
LogP2.92
Rot. Bonds2

About (4S)-4-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane

(4S)-4-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane (PubChem CID 99728057) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is (4S)-4-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name(4S)-4-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane
PubChem CID99728057
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name(4S)-4-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane
SMILESFc1ccc(C[C@H]2CCOC3(CCNCC3)C2)cc1
InChIInChI=1S/C16H22FNO/c17-15-3-1-13(2-4-15)11-14-5-10-19-16(12-14)6-8-18-9-7-16/h1-4,14,18H,5-12H2/t14-/m1/s1
InChIKeySFKXZKNNYJZWQL-CQSZACIVSA-N
XLogP2.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of (4S)-4-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane (CID 99728057) is (4S)-4-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for (4S)-4-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for (4S)-4-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane is Fc1ccc(C[C@H]2CCOC3(CCNCC3)C2)cc1.
What is the InChIKey of (4S)-4-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane?
The InChIKey is SFKXZKNNYJZWQL-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22FNO/c17-15-3-1-13(2-4-15)11-14-5-10-19-16(12-14)6-8-18-9-7-16/h1-4,14,18H,5-12H2/t14-/m1/s1.
What are the key properties of (4S)-4-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane?
(4S)-4-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane has a molecular weight of 263.36 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 99728057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).