2,2-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylundecane

C18H26F12O2 — CID 151916088

IUPAC2,2-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylundecane
SMILESCCCCCCCCC(C)C(C)(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18H26F12O2/c1-4-5-6-7-8-9-10-11(2)14(3,31-12(15(19,20)21)16(22,23)24)32-13(17(25,26)27)18(28,29)30/h11-13H,4-10H2,1-3H3
InChIKeySVUBSWJGLWMGRN-UHFFFAOYSA-N
MW502.38 g/mol
LogP8.11
Rot. Bonds12

About 2,2-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylundecane

2,2-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylundecane (PubChem CID 151916088) has the molecular formula C18H26F12O2 and a molecular weight of 502.38 g/mol. Its IUPAC name is 2,2-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylundecane.

Molecular Properties

Compound Name2,2-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylundecane
PubChem CID151916088
Molecular FormulaC18H26F12O2
Molecular Weight502.38 g/mol
Exact Mass502.17
IUPAC Name2,2-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylundecane
SMILESCCCCCCCCC(C)C(C)(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18H26F12O2/c1-4-5-6-7-8-9-10-11(2)14(3,31-12(15(19,20)21)16(22,23)24)32-13(17(25,26)27)18(28,29)30/h11-13H,4-10H2,1-3H3
InChIKeySVUBSWJGLWMGRN-UHFFFAOYSA-N
XLogP8.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.38
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-methylheptadecane-2,2-diamine
CID 141040528
2,2,3-trimethylundecane
CID 21285055
2-(2,3-dimethyldecan-2-yloxy)-2,3-dimethyldecane
CID 18444100
2-methoxy-2,3-dimethylundecane
CID 150941081
2-(trifluoromethoxy)undecane
CID 150054524
1,1,1,3,3,3-hexafluoropropan-2-yl 2-hexyldecanoate
CID 146607097
2-iodo-2,3-dimethylnonane
CID 157257011
2-chloro-2,3-dimethyltridecane
CID 87222996
2-chloro-2,3-dimethylnonane
CID 87897655
2,3-dimethylhexadecan-2-amine
CID 87479269
2,3-dimethylnonadecan-2-ylsilane
CID 175060938
2,3-dimethyltridecane-2-thiol
CID 175066611

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylundecane?
The IUPAC name of 2,2-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylundecane (CID 151916088) is 2,2-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylundecane.
What is the SMILES notation for 2,2-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylundecane?
The canonical SMILES for 2,2-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylundecane is CCCCCCCCC(C)C(C)(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylundecane?
The InChIKey is SVUBSWJGLWMGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F12O2/c1-4-5-6-7-8-9-10-11(2)14(3,31-12(15(19,20)21)16(22,23)24)32-13(17(25,26)27)18(28,29)30/h11-13H,4-10H2,1-3H3.
What are the key properties of 2,2-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylundecane?
2,2-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylundecane has a molecular weight of 502.38 g/mol, XLogP of 8.11, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylundecane is sourced from PubChem (CID 151916088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).