1-(2-fluorophenyl)sulfanyl-2-methylpropan-2-ol

C10H13FOS — CID 60879550

IUPAC1-(2-fluorophenyl)sulfanyl-2-methylpropan-2-ol
SMILESCC(C)(O)CSc1ccccc1F
InChIInChI=1S/C10H13FOS/c1-10(2,12)7-13-9-6-4-3-5-8(9)11/h3-6,12H,7H2,1-2H3
InChIKeyWNPOBMBBFIBTHO-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.69
Rot. Bonds3

About 1-(2-fluorophenyl)sulfanyl-2-methylpropan-2-ol

1-(2-fluorophenyl)sulfanyl-2-methylpropan-2-ol (PubChem CID 60879550) has the molecular formula C10H13FOS and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfanyl-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfanyl-2-methylpropan-2-ol
PubChem CID60879550
Molecular FormulaC10H13FOS
Molecular Weight200.28 g/mol
Exact Mass200.07
IUPAC Name1-(2-fluorophenyl)sulfanyl-2-methylpropan-2-ol
SMILESCC(C)(O)CSc1ccccc1F
InChIInChI=1S/C10H13FOS/c1-10(2,12)7-13-9-6-4-3-5-8(9)11/h3-6,12H,7H2,1-2H3
InChIKeyWNPOBMBBFIBTHO-UHFFFAOYSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Phenylthio)ethanol
CID 69685
2-[(4-Fluorophenyl)sulfanyl]acetic acid
CID 736197
1-(Phenylthio)-2-propanol
CID 99788
3-Phenylthiopropan-2-one
CID 247129
(4-Fluorophenylthio)propan-2-one
CID 2737496
2-((3-Fluorophenyl)thio)acetic acid
CID 23423127
3-(Phenylsulfanyl)propan-1-ol
CID 5155841
3-[(4-Fluorophenyl)thio]-2-hydroxy-2-methylpropanoic acid
CID 9813367
4-Fluorophenyl 2-oxiranylmethyl sulfide
CID 588223
2-(4-Fluoro-phenylsulfanyl)-ethanol
CID 2759148
1-Ethylsulfanyl-4-fluorobenzene
CID 5324153
Ethanethioic acid, S-(4-fluorophenyl) ester
CID 12261866

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfanyl-2-methylpropan-2-ol?
The IUPAC name of 1-(2-fluorophenyl)sulfanyl-2-methylpropan-2-ol (CID 60879550) is 1-(2-fluorophenyl)sulfanyl-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2-fluorophenyl)sulfanyl-2-methylpropan-2-ol?
The canonical SMILES for 1-(2-fluorophenyl)sulfanyl-2-methylpropan-2-ol is CC(C)(O)CSc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)sulfanyl-2-methylpropan-2-ol?
The InChIKey is WNPOBMBBFIBTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FOS/c1-10(2,12)7-13-9-6-4-3-5-8(9)11/h3-6,12H,7H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)sulfanyl-2-methylpropan-2-ol?
1-(2-fluorophenyl)sulfanyl-2-methylpropan-2-ol has a molecular weight of 200.28 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfanyl-2-methylpropan-2-ol is sourced from PubChem (CID 60879550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).