4-chlorosulfinyloxy-5,5,14,14-tetrafluorooctadecane

C18H33ClF4O2S — CID 142761879

IUPAC4-chlorosulfinyloxy-5,5,14,14-tetrafluorooctadecane
SMILESCCCCC(F)(F)CCCCCCCCC(F)(F)C(CCC)OS(=O)Cl
InChIInChI=1S/C18H33ClF4O2S/c1-3-5-13-17(20,21)14-10-8-6-7-9-11-15-18(22,23)16(12-4-2)25-26(19)24/h16H,3-15H2,1-2H3
InChIKeySWXWWBZAOZWVTI-UHFFFAOYSA-N
MW424.97 g/mol
LogP7.57
Rot. Bonds17

About 4-chlorosulfinyloxy-5,5,14,14-tetrafluorooctadecane

4-chlorosulfinyloxy-5,5,14,14-tetrafluorooctadecane (PubChem CID 142761879) has the molecular formula C18H33ClF4O2S and a molecular weight of 424.97 g/mol. Its IUPAC name is 4-chlorosulfinyloxy-5,5,14,14-tetrafluorooctadecane.

Molecular Properties

Compound Name4-chlorosulfinyloxy-5,5,14,14-tetrafluorooctadecane
PubChem CID142761879
Molecular FormulaC18H33ClF4O2S
Molecular Weight424.97 g/mol
Exact Mass424.18
IUPAC Name4-chlorosulfinyloxy-5,5,14,14-tetrafluorooctadecane
SMILESCCCCC(F)(F)CCCCCCCCC(F)(F)C(CCC)OS(=O)Cl
InChIInChI=1S/C18H33ClF4O2S/c1-3-5-13-17(20,21)14-10-8-6-7-9-11-15-18(22,23)16(12-4-2)25-26(19)24/h16H,3-15H2,1-2H3
InChIKeySWXWWBZAOZWVTI-UHFFFAOYSA-N
XLogP7.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.97
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,5-difluorononane
CID 21410163
1,1,1,7,7-pentafluoroheptadecane
CID 54180623
6,6-difluorooctadecan-2-amine
CID 174731685
11,11-difluorooctadecan-2-amine
CID 150665400
3,3-difluoro-2-methylheptadecane
CID 22951834
2,2-difluorododecan-1-ol
CID 86222269
3,3-difluoro-2-methylnonane
CID 121443889
6,6-difluorododecanal
CID 143801183
(15-decyl-14-fluorooctacosan-14-yl) hydrogen sulfate
CID 175528705
3,3-difluorooctane
CID 54258569
2,2-difluorodecan-1-amine
CID 12635530
ethyl 2-(4,4-difluoroheptylsulfanyl)pentanoate
CID 87339665

Frequently Asked Questions

What is the IUPAC name of 4-chlorosulfinyloxy-5,5,14,14-tetrafluorooctadecane?
The IUPAC name of 4-chlorosulfinyloxy-5,5,14,14-tetrafluorooctadecane (CID 142761879) is 4-chlorosulfinyloxy-5,5,14,14-tetrafluorooctadecane.
What is the SMILES notation for 4-chlorosulfinyloxy-5,5,14,14-tetrafluorooctadecane?
The canonical SMILES for 4-chlorosulfinyloxy-5,5,14,14-tetrafluorooctadecane is CCCCC(F)(F)CCCCCCCCC(F)(F)C(CCC)OS(=O)Cl.
What is the InChIKey of 4-chlorosulfinyloxy-5,5,14,14-tetrafluorooctadecane?
The InChIKey is SWXWWBZAOZWVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33ClF4O2S/c1-3-5-13-17(20,21)14-10-8-6-7-9-11-15-18(22,23)16(12-4-2)25-26(19)24/h16H,3-15H2,1-2H3.
What are the key properties of 4-chlorosulfinyloxy-5,5,14,14-tetrafluorooctadecane?
4-chlorosulfinyloxy-5,5,14,14-tetrafluorooctadecane has a molecular weight of 424.97 g/mol, XLogP of 7.57, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorosulfinyloxy-5,5,14,14-tetrafluorooctadecane is sourced from PubChem (CID 142761879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).