[4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]oxan-4-yl]methanethiol

C15H20FNOS — CID 103504369

IUPAC[4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]oxan-4-yl]methanethiol
SMILESFc1ccc2c(c1)N(CC1(CS)CCOCC1)CC2
InChIInChI=1S/C15H20FNOS/c16-13-2-1-12-3-6-17(14(12)9-13)10-15(11-19)4-7-18-8-5-15/h1-2,9,19H,3-8,10-11H2
InChIKeyVHBCJUSPELUPJZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.91
Rot. Bonds3

About [4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]oxan-4-yl]methanethiol

[4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]oxan-4-yl]methanethiol (PubChem CID 103504369) has the molecular formula C15H20FNOS and a molecular weight of 281.40 g/mol. Its IUPAC name is [4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]oxan-4-yl]methanethiol.

Molecular Properties

Compound Name[4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]oxan-4-yl]methanethiol
PubChem CID103504369
Molecular FormulaC15H20FNOS
Molecular Weight281.40 g/mol
Exact Mass281.12
IUPAC Name[4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]oxan-4-yl]methanethiol
SMILESFc1ccc2c(c1)N(CC1(CS)CCOCC1)CC2
InChIInChI=1S/C15H20FNOS/c16-13-2-1-12-3-6-17(14(12)9-13)10-15(11-19)4-7-18-8-5-15/h1-2,9,19H,3-8,10-11H2
InChIKeyVHBCJUSPELUPJZ-UHFFFAOYSA-N
XLogP2.91
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]oxan-4-yl]methyl]ethanamine
CID 103502519
4-(6-fluoro-2,3-dihydroindol-1-yl)butane-1-thiol
CID 103504365
1-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]cyclohexane-1-carbaldehyde
CID 103502456
6-fluoro-1-[(3-propylpyrrolidin-3-yl)methyl]-2,3-dihydroindole
CID 103497238
4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-4-methyloxolan-3-amine
CID 103497186
[3-(2,3-dihydroindol-1-ylmethyl)oxolan-3-yl]methanamine
CID 62263515
(3R)-4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-2-one
CID 146175141
4-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylbutan-1-amine
CID 103497056
5-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpentan-1-amine
CID 103503121
(E)-4-(6-fluoro-2,3-dihydroindol-1-yl)but-2-en-1-amine
CID 103495908
1-[(4-bromophenyl)methyl]-6-fluoro-2,3-dihydroindole
CID 103501587
6-fluoro-1-(1H-imidazol-2-ylmethyl)-2,3-dihydroindole
CID 59556823

Frequently Asked Questions

What is the IUPAC name of [4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]oxan-4-yl]methanethiol?
The IUPAC name of [4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]oxan-4-yl]methanethiol (CID 103504369) is [4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]oxan-4-yl]methanethiol.
What is the SMILES notation for [4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]oxan-4-yl]methanethiol?
The canonical SMILES for [4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]oxan-4-yl]methanethiol is Fc1ccc2c(c1)N(CC1(CS)CCOCC1)CC2.
What is the InChIKey of [4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]oxan-4-yl]methanethiol?
The InChIKey is VHBCJUSPELUPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNOS/c16-13-2-1-12-3-6-17(14(12)9-13)10-15(11-19)4-7-18-8-5-15/h1-2,9,19H,3-8,10-11H2.
What are the key properties of [4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]oxan-4-yl]methanethiol?
[4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]oxan-4-yl]methanethiol has a molecular weight of 281.40 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]oxan-4-yl]methanethiol is sourced from PubChem (CID 103504369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).