1-fluoropropan-2-ylsulfanylbenzene

C9H11FS — CID 15563457

IUPAC1-fluoropropan-2-ylsulfanylbenzene
SMILESCC(CF)Sc1ccccc1
InChIInChI=1S/C9H11FS/c1-8(7-10)11-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyMAXNPFRQFRMLPR-UHFFFAOYSA-N
MW170.25 g/mol
LogP3.14
Rot. Bonds3

About 1-fluoropropan-2-ylsulfanylbenzene

1-fluoropropan-2-ylsulfanylbenzene (PubChem CID 15563457) has the molecular formula C9H11FS and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-fluoropropan-2-ylsulfanylbenzene.

Molecular Properties

Compound Name1-fluoropropan-2-ylsulfanylbenzene
PubChem CID15563457
Molecular FormulaC9H11FS
Molecular Weight170.25 g/mol
Exact Mass170.06
IUPAC Name1-fluoropropan-2-ylsulfanylbenzene
SMILESCC(CF)Sc1ccccc1
InChIInChI=1S/C9H11FS/c1-8(7-10)11-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyMAXNPFRQFRMLPR-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(2S)-butan-2-yl]sulfanylbenzene
CID 12812299
2-phenylsulfanylpropyl acetate
CID 15563434
5-phenylsulfanylhexan-3-one
CID 11275800
methyl 3-phenylsulfanylbutanoate
CID 10750953
1,1,1,3,3,3-hexafluoropropan-2-ylsulfanylbenzene
CID 12567444
1,1,3,3-tetramethyl-2-(2-phenylsulfanylpropyl)guanidine
CID 111820252
3-phenylsulfanylbutanimidamide
CID 60915236
[(2R,4R)-4-phenylmethoxypentan-2-yl]sulfanylbenzene
CID 10589314
3-phenylsulfanylbutanehydrazide
CID 63582257
N-(2-phenylsulfanylpropyl)ethanesulfonamide
CID 71997201
methyl 2-oxo-4-phenylsulfanylpentanoate
CID 10889971
1-(3-phenylsulfanylbutyl)piperidine
CID 21391076

Frequently Asked Questions

What is the IUPAC name of 1-fluoropropan-2-ylsulfanylbenzene?
The IUPAC name of 1-fluoropropan-2-ylsulfanylbenzene (CID 15563457) is 1-fluoropropan-2-ylsulfanylbenzene.
What is the SMILES notation for 1-fluoropropan-2-ylsulfanylbenzene?
The canonical SMILES for 1-fluoropropan-2-ylsulfanylbenzene is CC(CF)Sc1ccccc1.
What is the InChIKey of 1-fluoropropan-2-ylsulfanylbenzene?
The InChIKey is MAXNPFRQFRMLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FS/c1-8(7-10)11-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3.
What are the key properties of 1-fluoropropan-2-ylsulfanylbenzene?
1-fluoropropan-2-ylsulfanylbenzene has a molecular weight of 170.25 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropropan-2-ylsulfanylbenzene is sourced from PubChem (CID 15563457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).