2-(4-chloro-3-fluorophenyl)-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)acetic acid

C16H19ClFNO3 — CID 155958510

IUPAC2-(4-chloro-3-fluorophenyl)-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)acetic acid
SMILESO=C(O)C(c1ccc(Cl)c(F)c1)N1CCC2(CCOCC2)C1
InChIInChI=1S/C16H19ClFNO3/c17-12-2-1-11(9-13(12)18)14(15(20)21)19-6-3-16(10-19)4-7-22-8-5-16/h1-2,9,14H,3-8,10H2,(H,20,21)
InChIKeyQFHZZPVUZXHTAT-UHFFFAOYSA-N
MW327.78 g/mol
LogP3.11
Rot. Bonds3

About 2-(4-chloro-3-fluorophenyl)-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)acetic acid

2-(4-chloro-3-fluorophenyl)-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)acetic acid (PubChem CID 155958510) has the molecular formula C16H19ClFNO3 and a molecular weight of 327.78 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)acetic acid
PubChem CID155958510
Molecular FormulaC16H19ClFNO3
Molecular Weight327.78 g/mol
Exact Mass327.10
IUPAC Name2-(4-chloro-3-fluorophenyl)-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)acetic acid
SMILESO=C(O)C(c1ccc(Cl)c(F)c1)N1CCC2(CCOCC2)C1
InChIInChI=1S/C16H19ClFNO3/c17-12-2-1-11(9-13(12)18)14(15(20)21)19-6-3-16(10-19)4-7-22-8-5-16/h1-2,9,14H,3-8,10H2,(H,20,21)
InChIKeyQFHZZPVUZXHTAT-UHFFFAOYSA-N
XLogP3.11
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-3-fluorophenyl)-3-morpholin-4-ylpropanoic acid
CID 64528321
2-(4-bromo-3-fluorophenyl)-2-morpholin-4-ylacetic acid
CID 81447698
2-(3,4-dichlorophenyl)-2-[3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]acetic acid
CID 136552313
4-[(4-chloro-3-fluorophenyl)-hydroxymethyl]oxane-4-carbonitrile
CID 79131998
2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-thiophen-2-ylacetic acid
CID 113278959
2-chloro-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)benzoic acid
CID 79695358
2-(1-methylpyrazol-4-yl)-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetic acid
CID 115289423
2-[[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1-morpholin-4-ylethanone
CID 97349149
2-(3,5-dichlorophenyl)-2-(3,3-dimethylpyrrolidin-1-yl)acetic acid
CID 154763093
3-(4-chloro-3-fluorophenyl)-2,3-dihydroxypropanoic acid
CID 170823555
(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetic acid
CID 93297485
(S)-(4-chloro-3-fluorophenyl)-(oxan-4-yl)methanamine
CID 131292483

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)acetic acid?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)acetic acid (CID 155958510) is 2-(4-chloro-3-fluorophenyl)-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)acetic acid.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)acetic acid?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)acetic acid is O=C(O)C(c1ccc(Cl)c(F)c1)N1CCC2(CCOCC2)C1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)acetic acid?
The InChIKey is QFHZZPVUZXHTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFNO3/c17-12-2-1-11(9-13(12)18)14(15(20)21)19-6-3-16(10-19)4-7-22-8-5-16/h1-2,9,14H,3-8,10H2,(H,20,21).
What are the key properties of 2-(4-chloro-3-fluorophenyl)-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)acetic acid?
2-(4-chloro-3-fluorophenyl)-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)acetic acid has a molecular weight of 327.78 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-2-(8-oxa-2-azaspiro[4.5]decan-2-yl)acetic acid is sourced from PubChem (CID 155958510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).