1,1,1,2,2-pentafluoro-16-propoxyhexadecane

C19H35F5O — CID 126561771

IUPAC1,1,1,2,2-pentafluoro-16-propoxyhexadecane
SMILESCCCOCCCCCCCCCCCCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C19H35F5O/c1-2-16-25-17-14-12-10-8-6-4-3-5-7-9-11-13-15-18(20,21)19(22,23)24/h2-17H2,1H3
InChIKeyIEODMCYPJBJLSO-UHFFFAOYSA-N
MW374.48 g/mol
LogP7.68
Rot. Bonds17

About 1,1,1,2,2-pentafluoro-16-propoxyhexadecane

1,1,1,2,2-pentafluoro-16-propoxyhexadecane (PubChem CID 126561771) has the molecular formula C19H35F5O and a molecular weight of 374.48 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-16-propoxyhexadecane.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-16-propoxyhexadecane
PubChem CID126561771
Molecular FormulaC19H35F5O
Molecular Weight374.48 g/mol
Exact Mass374.26
IUPAC Name1,1,1,2,2-pentafluoro-16-propoxyhexadecane
SMILESCCCOCCCCCCCCCCCCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C19H35F5O/c1-2-16-25-17-14-12-10-8-6-4-3-5-7-9-11-13-15-18(20,21)19(22,23)24/h2-17H2,1H3
InChIKeyIEODMCYPJBJLSO-UHFFFAOYSA-N
XLogP7.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 122503667
18-(3,3-dimethylbutoxy)-1,1,1,2,2-pentafluorooctadecane
CID 162423589
1,1,1,2,2-pentafluorononadecane
CID 98452406
1-butoxy-5-(3,3,3-trifluoropropoxy)pentane
CID 59366555
1-(4,4,4-trifluorobutoxy)heptane
CID 54323453
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-12-octoxydodecane
CID 18787826
1,1,1-tributoxy-10-propoxydecane
CID 150583223
ethane;1,1,1,2,2-pentafluorohexane
CID 167481670
azane;1-propoxyoctane
CID 88631627
5,5,6,6,6-pentafluorohexyl butanoate
CID 175496428
1,1,1,2,2-pentafluoro-8-iodooctane;1,1,1,2,2-pentafluorononane
CID 90829003
1,1,1-trifluoro-4-pentoxy-2,2-bis(trifluoromethyl)butane
CID 172565145

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2-pentafluoro-16-propoxyhexadecane?
The IUPAC name of 1,1,1,2,2-pentafluoro-16-propoxyhexadecane (CID 126561771) is 1,1,1,2,2-pentafluoro-16-propoxyhexadecane.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-16-propoxyhexadecane?
The canonical SMILES for 1,1,1,2,2-pentafluoro-16-propoxyhexadecane is CCCOCCCCCCCCCCCCCCC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluoro-16-propoxyhexadecane?
The InChIKey is IEODMCYPJBJLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35F5O/c1-2-16-25-17-14-12-10-8-6-4-3-5-7-9-11-13-15-18(20,21)19(22,23)24/h2-17H2,1H3.
What are the key properties of 1,1,1,2,2-pentafluoro-16-propoxyhexadecane?
1,1,1,2,2-pentafluoro-16-propoxyhexadecane has a molecular weight of 374.48 g/mol, XLogP of 7.68, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2-pentafluoro-16-propoxyhexadecane is sourced from PubChem (CID 126561771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).