(Z)-fluoro-[4-(1-methylpiperidin-4-yl)oxyphenyl]-(1,2,2,2-tetrafluoroethylidene)-lambda4-sulfane

C14H16F5NOS — CID 18723220

IUPAC(Z)-fluoro-[4-(1-methylpiperidin-4-yl)oxyphenyl]-(1,2,2,2-tetrafluoroethylidene)-lambda4-sulfane
SMILESCN1CCC(Oc2ccc(/S(F)=C(/F)C(F)(F)F)cc2)CC1
InChIInChI=1S/C14H16F5NOS/c1-20-8-6-11(7-9-20)21-10-2-4-12(5-3-10)22(19)13(15)14(16,17)18/h2-5,11H,6-9H2,1H3
InChIKeyNFBGLCFUVHDXBW-UHFFFAOYSA-N
MW341.35 g/mol
LogP4.33
Rot. Bonds3

About (Z)-fluoro-[4-(1-methylpiperidin-4-yl)oxyphenyl]-(1,2,2,2-tetrafluoroethylidene)-lambda4-sulfane

(Z)-fluoro-[4-(1-methylpiperidin-4-yl)oxyphenyl]-(1,2,2,2-tetrafluoroethylidene)-lambda4-sulfane (PubChem CID 18723220) has the molecular formula C14H16F5NOS and a molecular weight of 341.35 g/mol. Its IUPAC name is (Z)-fluoro-[4-(1-methylpiperidin-4-yl)oxyphenyl]-(1,2,2,2-tetrafluoroethylidene)-lambda4-sulfane.

Molecular Properties

Compound Name(Z)-fluoro-[4-(1-methylpiperidin-4-yl)oxyphenyl]-(1,2,2,2-tetrafluoroethylidene)-lambda4-sulfane
PubChem CID18723220
Molecular FormulaC14H16F5NOS
Molecular Weight341.35 g/mol
Exact Mass341.09
IUPAC Name(Z)-fluoro-[4-(1-methylpiperidin-4-yl)oxyphenyl]-(1,2,2,2-tetrafluoroethylidene)-lambda4-sulfane
SMILESCN1CCC(Oc2ccc(/S(F)=C(/F)C(F)(F)F)cc2)CC1
InChIInChI=1S/C14H16F5NOS/c1-20-8-6-11(7-9-20)21-10-2-4-12(5-3-10)22(19)13(15)14(16,17)18/h2-5,11H,6-9H2,1H3
InChIKeyNFBGLCFUVHDXBW-UHFFFAOYSA-N
XLogP4.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-fluoro-[4-(1-methylpiperidin-4-yl)oxyphenyl]-(1,2,2,2-tetrafluoroethylidene)-lambda4-sulfane with MolForge

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Related Compounds

1-Methyl-4-(4-phenylsulfanylphenoxy)piperidine;hydrochloride
CID 14400559
(4-Methoxyphenyl)sulfanyl piperidine-1-carbodithioate
CID 145955536
1-[3-(4-Fluorophenoxy)propyl]piperidine
CID 2058916
4-Methoxy-1-((4-(trifluoromethoxy)phenyl)sulfonyl)piperidine
CID 49720658
1-Methyl-4-(4-phenylsulfanylphenoxy)piperidine
CID 827303
1-[3-(2-Fluorophenoxy)propyl]piperidine
CID 2843857
1-Methyl-4-[4-(1,1,2,2,2-pentafluoroethoxy)phenoxy]piperidine
CID 18722964
1-Methyl-4-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]sulfanylpiperidine
CID 18722965
1-Methyl-4-[4-(2,2,2-trifluoroethoxy)phenyl]sulfanylpiperidine
CID 18722970
1-Methyl-4-[4-(2,2,2-trifluoroethylsulfanyl)phenoxy]piperidine
CID 18722973
1-Methyl-4-phenoxypiperidine
CID 18722998
Difluoromethylidene-fluoro-[2-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethyl]-lambda4-sulfane
CID 18723187

Frequently Asked Questions

What is the IUPAC name of (Z)-fluoro-[4-(1-methylpiperidin-4-yl)oxyphenyl]-(1,2,2,2-tetrafluoroethylidene)-lambda4-sulfane?
The IUPAC name of (Z)-fluoro-[4-(1-methylpiperidin-4-yl)oxyphenyl]-(1,2,2,2-tetrafluoroethylidene)-lambda4-sulfane (CID 18723220) is (Z)-fluoro-[4-(1-methylpiperidin-4-yl)oxyphenyl]-(1,2,2,2-tetrafluoroethylidene)-lambda4-sulfane.
What is the SMILES notation for (Z)-fluoro-[4-(1-methylpiperidin-4-yl)oxyphenyl]-(1,2,2,2-tetrafluoroethylidene)-lambda4-sulfane?
The canonical SMILES for (Z)-fluoro-[4-(1-methylpiperidin-4-yl)oxyphenyl]-(1,2,2,2-tetrafluoroethylidene)-lambda4-sulfane is CN1CCC(Oc2ccc(/S(F)=C(/F)C(F)(F)F)cc2)CC1.
What is the InChIKey of (Z)-fluoro-[4-(1-methylpiperidin-4-yl)oxyphenyl]-(1,2,2,2-tetrafluoroethylidene)-lambda4-sulfane?
The InChIKey is NFBGLCFUVHDXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F5NOS/c1-20-8-6-11(7-9-20)21-10-2-4-12(5-3-10)22(19)13(15)14(16,17)18/h2-5,11H,6-9H2,1H3.
What are the key properties of (Z)-fluoro-[4-(1-methylpiperidin-4-yl)oxyphenyl]-(1,2,2,2-tetrafluoroethylidene)-lambda4-sulfane?
(Z)-fluoro-[4-(1-methylpiperidin-4-yl)oxyphenyl]-(1,2,2,2-tetrafluoroethylidene)-lambda4-sulfane has a molecular weight of 341.35 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-fluoro-[4-(1-methylpiperidin-4-yl)oxyphenyl]-(1,2,2,2-tetrafluoroethylidene)-lambda4-sulfane is sourced from PubChem (CID 18723220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).