1,1,1-trifluoro-4-methoxytridecane

C14H27F3O — CID 150822235

IUPAC1,1,1-trifluoro-4-methoxytridecane
SMILESCCCCCCCCCC(CCC(F)(F)F)OC
InChIInChI=1S/C14H27F3O/c1-3-4-5-6-7-8-9-10-13(18-2)11-12-14(15,16)17/h13H,3-12H2,1-2H3
InChIKeyKKEGTBBBFRUJJL-UHFFFAOYSA-N
MW268.36 g/mol
LogP5.48
Rot. Bonds11

About 1,1,1-trifluoro-4-methoxytridecane

1,1,1-trifluoro-4-methoxytridecane (PubChem CID 150822235) has the molecular formula C14H27F3O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-methoxytridecane.

Molecular Properties

Compound Name1,1,1-trifluoro-4-methoxytridecane
PubChem CID150822235
Molecular FormulaC14H27F3O
Molecular Weight268.36 g/mol
Exact Mass268.20
IUPAC Name1,1,1-trifluoro-4-methoxytridecane
SMILESCCCCCCCCCC(CCC(F)(F)F)OC
InChIInChI=1S/C14H27F3O/c1-3-4-5-6-7-8-9-10-13(18-2)11-12-14(15,16)17/h13H,3-12H2,1-2H3
InChIKeyKKEGTBBBFRUJJL-UHFFFAOYSA-N
XLogP5.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.36
LogP ≤ 55.48
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

(5S)-5-methoxyundecane
CID 118889956
6-methoxy-11-(trifluoromethyl)octadecane
CID 152576164
7-(3,3,3-trifluoropropyl)tridecane
CID 126695367
1,1,1-trifluoro-5-(trimethoxymethyl)tridecane
CID 150730779
(4S)-4-methoxyundecan-1-ol
CID 53329455
1,1,1-trifluorotetradecan-4-amine
CID 79954086
1,1,1-trifluoro-4-methyldecane
CID 147899191
12-methoxyoctadecan-1-ol
CID 18347175
9-methoxypentadecan-2-amine
CID 89335213
4-methoxy-2-methyltridecane
CID 150137637
4-methoxyundecan-2-one
CID 14005013
1,1,1-trifluorohexadecane
CID 15685316

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-methoxytridecane?
The IUPAC name of 1,1,1-trifluoro-4-methoxytridecane (CID 150822235) is 1,1,1-trifluoro-4-methoxytridecane.
What is the SMILES notation for 1,1,1-trifluoro-4-methoxytridecane?
The canonical SMILES for 1,1,1-trifluoro-4-methoxytridecane is CCCCCCCCCC(CCC(F)(F)F)OC.
What is the InChIKey of 1,1,1-trifluoro-4-methoxytridecane?
The InChIKey is KKEGTBBBFRUJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3O/c1-3-4-5-6-7-8-9-10-13(18-2)11-12-14(15,16)17/h13H,3-12H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-4-methoxytridecane?
1,1,1-trifluoro-4-methoxytridecane has a molecular weight of 268.36 g/mol, XLogP of 5.48, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-methoxytridecane is sourced from PubChem (CID 150822235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).