6-methoxy-11-(trifluoromethyl)octadecane

C20H39F3O — CID 152576164

IUPAC6-methoxy-11-(trifluoromethyl)octadecane
SMILESCCCCCCCC(CCCCC(CCCCC)OC)C(F)(F)F
InChIInChI=1S/C20H39F3O/c1-4-6-8-9-11-14-18(20(21,22)23)15-12-13-17-19(24-3)16-10-7-5-2/h18-19H,4-17H2,1-3H3
InChIKeyYSNBRHXPOZNKHZ-UHFFFAOYSA-N
MW352.53 g/mol
LogP7.68
Rot. Bonds16

About 6-methoxy-11-(trifluoromethyl)octadecane

6-methoxy-11-(trifluoromethyl)octadecane (PubChem CID 152576164) has the molecular formula C20H39F3O and a molecular weight of 352.53 g/mol. Its IUPAC name is 6-methoxy-11-(trifluoromethyl)octadecane.

Molecular Properties

Compound Name6-methoxy-11-(trifluoromethyl)octadecane
PubChem CID152576164
Molecular FormulaC20H39F3O
Molecular Weight352.53 g/mol
Exact Mass352.30
IUPAC Name6-methoxy-11-(trifluoromethyl)octadecane
SMILESCCCCCCCC(CCCCC(CCCCC)OC)C(F)(F)F
InChIInChI=1S/C20H39F3O/c1-4-6-8-9-11-14-18(20(21,22)23)15-12-13-17-19(24-3)16-10-7-5-2/h18-19H,4-17H2,1-3H3
InChIKeyYSNBRHXPOZNKHZ-UHFFFAOYSA-N
XLogP7.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.53
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-trifluoro-4-methoxytridecane
CID 150822235
(5S)-5-methoxyundecane
CID 118889956
4-methoxy-2-methyltridecane
CID 150137637
5-(trifluoromethyl)decane;yttrium(3+)
CID 20801388
(4S)-4-methoxyundecan-1-ol
CID 53329455
(2R)-1,1,1-trifluoro-2-(iodomethyl)heptane
CID 89053910
12-methoxyoctadecan-1-ol
CID 18347175
4-(trifluoromethyl)decanoic acid
CID 88597361
(7R)-7-methoxy-2-methylundecane
CID 118890177
9-methoxypentadecan-2-amine
CID 89335213
1,1,1,2-tetrafluoro-2-methyl-6-(trifluoromethyl)undecane
CID 58419046
6-(trimethoxymethyl)tridecane
CID 151806345

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-11-(trifluoromethyl)octadecane?
The IUPAC name of 6-methoxy-11-(trifluoromethyl)octadecane (CID 152576164) is 6-methoxy-11-(trifluoromethyl)octadecane.
What is the SMILES notation for 6-methoxy-11-(trifluoromethyl)octadecane?
The canonical SMILES for 6-methoxy-11-(trifluoromethyl)octadecane is CCCCCCCC(CCCCC(CCCCC)OC)C(F)(F)F.
What is the InChIKey of 6-methoxy-11-(trifluoromethyl)octadecane?
The InChIKey is YSNBRHXPOZNKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39F3O/c1-4-6-8-9-11-14-18(20(21,22)23)15-12-13-17-19(24-3)16-10-7-5-2/h18-19H,4-17H2,1-3H3.
What are the key properties of 6-methoxy-11-(trifluoromethyl)octadecane?
6-methoxy-11-(trifluoromethyl)octadecane has a molecular weight of 352.53 g/mol, XLogP of 7.68, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-11-(trifluoromethyl)octadecane is sourced from PubChem (CID 152576164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).