1-fluoro-2,3,4,4a,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-phenothiazine

C12H20FNS — CID 140595541

IUPAC1-fluoro-2,3,4,4a,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-phenothiazine
SMILESFC1CCCC2SC3CCCCC3NC12
InChIInChI=1S/C12H20FNS/c13-8-4-3-7-11-12(8)14-9-5-1-2-6-10(9)15-11/h8-12,14H,1-7H2
InChIKeyQSYRHVCMCXYYNT-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.89
Rot. Bonds

About 1-fluoro-2,3,4,4a,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-phenothiazine

1-fluoro-2,3,4,4a,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-phenothiazine (PubChem CID 140595541) has the molecular formula C12H20FNS and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-fluoro-2,3,4,4a,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-phenothiazine.

Molecular Properties

Compound Name1-fluoro-2,3,4,4a,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-phenothiazine
PubChem CID140595541
Molecular FormulaC12H20FNS
Molecular Weight229.36 g/mol
Exact Mass229.13
IUPAC Name1-fluoro-2,3,4,4a,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-phenothiazine
SMILESFC1CCCC2SC3CCCCC3NC12
InChIInChI=1S/C12H20FNS/c13-8-4-3-7-11-12(8)14-9-5-1-2-6-10(9)15-11/h8-12,14H,1-7H2
InChIKeyQSYRHVCMCXYYNT-UHFFFAOYSA-N
XLogP2.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-fluoro-2,3,4,4a,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-phenothiazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2,3,4,4a,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-phenothiazine?
The IUPAC name of 1-fluoro-2,3,4,4a,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-phenothiazine (CID 140595541) is 1-fluoro-2,3,4,4a,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-phenothiazine.
What is the SMILES notation for 1-fluoro-2,3,4,4a,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-phenothiazine?
The canonical SMILES for 1-fluoro-2,3,4,4a,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-phenothiazine is FC1CCCC2SC3CCCCC3NC12.
What is the InChIKey of 1-fluoro-2,3,4,4a,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-phenothiazine?
The InChIKey is QSYRHVCMCXYYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNS/c13-8-4-3-7-11-12(8)14-9-5-1-2-6-10(9)15-11/h8-12,14H,1-7H2.
What are the key properties of 1-fluoro-2,3,4,4a,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-phenothiazine?
1-fluoro-2,3,4,4a,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-phenothiazine has a molecular weight of 229.36 g/mol, XLogP of 2.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2,3,4,4a,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-phenothiazine is sourced from PubChem (CID 140595541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).