4-fluoro-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepane

C14H24FNOS — CID 103983858

IUPAC4-fluoro-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepane
SMILESFC1(C2CCOC3(CCSC3)C2)CCCNCC1
InChIInChI=1S/C14H24FNOS/c15-14(3-1-6-16-7-4-14)12-2-8-17-13(10-12)5-9-18-11-13/h12,16H,1-11H2
InChIKeyDHDVLVLVJYERFY-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.77
Rot. Bonds1

About 4-fluoro-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepane

4-fluoro-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepane (PubChem CID 103983858) has the molecular formula C14H24FNOS and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-fluoro-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepane.

Molecular Properties

Compound Name4-fluoro-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepane
PubChem CID103983858
Molecular FormulaC14H24FNOS
Molecular Weight273.42 g/mol
Exact Mass273.16
IUPAC Name4-fluoro-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepane
SMILESFC1(C2CCOC3(CCSC3)C2)CCCNCC1
InChIInChI=1S/C14H24FNOS/c15-14(3-1-6-16-7-4-14)12-2-8-17-13(10-12)5-9-18-11-13/h12,16H,1-11H2
InChIKeyDHDVLVLVJYERFY-UHFFFAOYSA-N
XLogP2.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 79914073
CID 79914073
CID 79914733
CID 79914733
CID 79915392
CID 79915392
CID 79953928
CID 79953928
CID 79954780
CID 79954780
CID 79959279
CID 79959279
CID 103983941
CID 103983941
CID 104276988
CID 104276988
CID 107443554
CID 107443554
CID 107446573
CID 107446573
CID 112563021
CID 112563021
CID 112563249
CID 112563249

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepane?
The IUPAC name of 4-fluoro-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepane (CID 103983858) is 4-fluoro-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepane.
What is the SMILES notation for 4-fluoro-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepane?
The canonical SMILES for 4-fluoro-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepane is FC1(C2CCOC3(CCSC3)C2)CCCNCC1.
What is the InChIKey of 4-fluoro-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepane?
The InChIKey is DHDVLVLVJYERFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FNOS/c15-14(3-1-6-16-7-4-14)12-2-8-17-13(10-12)5-9-18-11-13/h12,16H,1-11H2.
What are the key properties of 4-fluoro-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepane?
4-fluoro-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepane has a molecular weight of 273.42 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepane is sourced from PubChem (CID 103983858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).