3-(17,17,17-trifluoroheptadecoxy)propan-1-ol

C20H39F3O2 — CID 162744639

IUPAC3-(17,17,17-trifluoroheptadecoxy)propan-1-ol
SMILESOCCCOCCCCCCCCCCCCCCCCC(F)(F)F
InChIInChI=1S/C20H39F3O2/c21-20(22,23)16-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18-25-19-15-17-24/h24H,1-19H2
InChIKeyLBNSMNOJLRWCHI-UHFFFAOYSA-N
MW368.52 g/mol
LogP6.80
Rot. Bonds19

About 3-(17,17,17-trifluoroheptadecoxy)propan-1-ol

3-(17,17,17-trifluoroheptadecoxy)propan-1-ol (PubChem CID 162744639) has the molecular formula C20H39F3O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 3-(17,17,17-trifluoroheptadecoxy)propan-1-ol.

Molecular Properties

Compound Name3-(17,17,17-trifluoroheptadecoxy)propan-1-ol
PubChem CID162744639
Molecular FormulaC20H39F3O2
Molecular Weight368.52 g/mol
Exact Mass368.29
IUPAC Name3-(17,17,17-trifluoroheptadecoxy)propan-1-ol
SMILESOCCCOCCCCCCCCCCCCCCCCC(F)(F)F
InChIInChI=1S/C20H39F3O2/c21-20(22,23)16-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18-25-19-15-17-24/h24H,1-19H2
InChIKeyLBNSMNOJLRWCHI-UHFFFAOYSA-N
XLogP6.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-(4,4,4-trifluorobutoxy)nonan-1-ol
CID 22407961
2-[2-[2-(4,4,4-trifluorobutoxy)ethoxy]ethoxy]ethanol
CID 162536878
1,1,1-trifluoro-4-(4,4,4-trifluorobutoxy)butane
CID 22483429
3-[3-[3-[3-[3-[3-[3-[3-[3-[6-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]hexoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 59025207
4-[6-(3-hydroxypropoxy)hexoxy]butan-1-ol
CID 90752305
1-(4,4,4-trifluorobutoxy)heptane
CID 54323453
2-[2-[7,8,8,8-tetrafluoro-7-(trifluoromethyl)octoxy]ethoxy]ethanol
CID 58901210
6-[3-(3-hydroxypropoxy)-2,2-bis(3-hydroxypropoxymethyl)propoxy]hexan-1-ol
CID 139572770
methyl 3-(10,10,10-trifluorodecoxy)propanoate
CID 151180668
11-[2-[2-[2-(3,3,3-trifluoropropoxy)ethoxy]ethoxy]ethoxy]undecane-1-thiol
CID 101457918
3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 15061564
7-(6-hydroxy-5,5-dimethylhexoxy)-2,2-dimethylheptan-1-ol
CID 11426254

Frequently Asked Questions

What is the IUPAC name of 3-(17,17,17-trifluoroheptadecoxy)propan-1-ol?
The IUPAC name of 3-(17,17,17-trifluoroheptadecoxy)propan-1-ol (CID 162744639) is 3-(17,17,17-trifluoroheptadecoxy)propan-1-ol.
What is the SMILES notation for 3-(17,17,17-trifluoroheptadecoxy)propan-1-ol?
The canonical SMILES for 3-(17,17,17-trifluoroheptadecoxy)propan-1-ol is OCCCOCCCCCCCCCCCCCCCCC(F)(F)F.
What is the InChIKey of 3-(17,17,17-trifluoroheptadecoxy)propan-1-ol?
The InChIKey is LBNSMNOJLRWCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39F3O2/c21-20(22,23)16-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18-25-19-15-17-24/h24H,1-19H2.
What are the key properties of 3-(17,17,17-trifluoroheptadecoxy)propan-1-ol?
3-(17,17,17-trifluoroheptadecoxy)propan-1-ol has a molecular weight of 368.52 g/mol, XLogP of 6.80, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(17,17,17-trifluoroheptadecoxy)propan-1-ol is sourced from PubChem (CID 162744639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).