1-(3-fluorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol

C17H23FO2S — CID 114872541

IUPAC1-(3-fluorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol
SMILESCCC(O)(c1cccc(F)c1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C17H23FO2S/c1-2-17(19,13-4-3-5-15(18)10-13)14-6-8-20-16(11-14)7-9-21-12-16/h3-5,10,14,19H,2,6-9,11-12H2,1H3
InChIKeyFOXAINOUEFCOBU-UHFFFAOYSA-N
MW310.43 g/mol
LogP3.73
Rot. Bonds3

About 1-(3-fluorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol

1-(3-fluorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol (PubChem CID 114872541) has the molecular formula C17H23FO2S and a molecular weight of 310.43 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol
PubChem CID114872541
Molecular FormulaC17H23FO2S
Molecular Weight310.43 g/mol
Exact Mass310.14
IUPAC Name1-(3-fluorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol
SMILESCCC(O)(c1cccc(F)c1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C17H23FO2S/c1-2-17(19,13-4-3-5-15(18)10-13)14-6-8-20-16(11-14)7-9-21-12-16/h3-5,10,14,19H,2,6-9,11-12H2,1H3
InChIKeyFOXAINOUEFCOBU-UHFFFAOYSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylethanol
CID 79899148
1-(3-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79900028
1-(4-fluorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79912974
1-(2-methylphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol
CID 79901777
1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(3-fluorophenyl)ethanol
CID 79900027
2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylethanamine
CID 115918129
2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylpropan-2-ol
CID 79900359
2-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butane-1,2-diol
CID 103449203
N-[1-(3-fluorophenyl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895880
2-amino-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylpropan-1-one
CID 116564038
(2,4-difluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 79922329
1-(4-methoxyphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79907804

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol?
The IUPAC name of 1-(3-fluorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol (CID 114872541) is 1-(3-fluorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol.
What is the SMILES notation for 1-(3-fluorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol?
The canonical SMILES for 1-(3-fluorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol is CCC(O)(c1cccc(F)c1)C1CCOC2(CCSC2)C1.
What is the InChIKey of 1-(3-fluorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol?
The InChIKey is FOXAINOUEFCOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FO2S/c1-2-17(19,13-4-3-5-15(18)10-13)14-6-8-20-16(11-14)7-9-21-12-16/h3-5,10,14,19H,2,6-9,11-12H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol?
1-(3-fluorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol has a molecular weight of 310.43 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol is sourced from PubChem (CID 114872541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).