1-(cyclohexen-1-yl)-2-(2-fluorophenyl)sulfanylethanone

C14H15FOS — CID 106651945

IUPAC1-(cyclohexen-1-yl)-2-(2-fluorophenyl)sulfanylethanone
SMILESO=C(CSc1ccccc1F)C1=CCCCC1
InChIInChI=1S/C14H15FOS/c15-12-8-4-5-9-14(12)17-10-13(16)11-6-2-1-3-7-11/h4-6,8-9H,1-3,7,10H2
InChIKeyRNBDNFYQTOEYAF-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.99
Rot. Bonds4

About 1-(cyclohexen-1-yl)-2-(2-fluorophenyl)sulfanylethanone

1-(cyclohexen-1-yl)-2-(2-fluorophenyl)sulfanylethanone (PubChem CID 106651945) has the molecular formula C14H15FOS and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-(2-fluorophenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-(2-fluorophenyl)sulfanylethanone
PubChem CID106651945
Molecular FormulaC14H15FOS
Molecular Weight250.34 g/mol
Exact Mass250.08
IUPAC Name1-(cyclohexen-1-yl)-2-(2-fluorophenyl)sulfanylethanone
SMILESO=C(CSc1ccccc1F)C1=CCCCC1
InChIInChI=1S/C14H15FOS/c15-12-8-4-5-9-14(12)17-10-13(16)11-6-2-1-3-7-11/h4-6,8-9H,1-3,7,10H2
InChIKeyRNBDNFYQTOEYAF-UHFFFAOYSA-N
XLogP3.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclohepten-1-yl)-2-phenylsulfanylethanone
CID 106651892
2-(4-bromophenyl)sulfanyl-1-[(1E)-cycloocten-1-yl]ethanone
CID 106651942
cyclohexen-1-yl-(2,6-difluorophenyl)methanone
CID 62078294
2-(2-fluorophenyl)sulfanylacetic acid
CID 2740386
3-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655124
2-(2-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 39965228
[(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanone
CID 106652041
(3R)-1-(cyclohexen-1-yl)-3-phenylpent-4-en-1-one
CID 134966270
2-butan-2-ylsulfanyl-1-(cycloocten-1-yl)ethanone
CID 106651882
2-(2-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 43412043
1-(cyclohexen-1-yl)-2-(2-methylphenyl)ethanone
CID 62077966
1-(3-fluorophenyl)-2-(2-fluorophenyl)sulfanylethanone
CID 43226528

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-(2-fluorophenyl)sulfanylethanone?
The IUPAC name of 1-(cyclohexen-1-yl)-2-(2-fluorophenyl)sulfanylethanone (CID 106651945) is 1-(cyclohexen-1-yl)-2-(2-fluorophenyl)sulfanylethanone.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-(2-fluorophenyl)sulfanylethanone?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-(2-fluorophenyl)sulfanylethanone is O=C(CSc1ccccc1F)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-(2-fluorophenyl)sulfanylethanone?
The InChIKey is RNBDNFYQTOEYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FOS/c15-12-8-4-5-9-14(12)17-10-13(16)11-6-2-1-3-7-11/h4-6,8-9H,1-3,7,10H2.
What are the key properties of 1-(cyclohexen-1-yl)-2-(2-fluorophenyl)sulfanylethanone?
1-(cyclohexen-1-yl)-2-(2-fluorophenyl)sulfanylethanone has a molecular weight of 250.34 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2-(2-fluorophenyl)sulfanylethanone is sourced from PubChem (CID 106651945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).