9-(1,1,2,2-tetrafluoroethoxymethyl)nonadecane

C22H42F4O — CID 54339885

IUPAC9-(1,1,2,2-tetrafluoroethoxymethyl)nonadecane
SMILESCCCCCCCCCCC(CCCCCCCC)COC(F)(F)C(F)F
InChIInChI=1S/C22H42F4O/c1-3-5-7-9-11-12-14-16-18-20(17-15-13-10-8-6-4-2)19-27-22(25,26)21(23)24/h20-21H,3-19H2,1-2H3
InChIKeyTYECJZZHNQZSAK-UHFFFAOYSA-N
MW398.57 g/mol
LogP8.76
Rot. Bonds20

About 9-(1,1,2,2-tetrafluoroethoxymethyl)nonadecane

9-(1,1,2,2-tetrafluoroethoxymethyl)nonadecane (PubChem CID 54339885) has the molecular formula C22H42F4O and a molecular weight of 398.57 g/mol. Its IUPAC name is 9-(1,1,2,2-tetrafluoroethoxymethyl)nonadecane.

Molecular Properties

Compound Name9-(1,1,2,2-tetrafluoroethoxymethyl)nonadecane
PubChem CID54339885
Molecular FormulaC22H42F4O
Molecular Weight398.57 g/mol
Exact Mass398.32
IUPAC Name9-(1,1,2,2-tetrafluoroethoxymethyl)nonadecane
SMILESCCCCCCCCCCC(CCCCCCCC)COC(F)(F)C(F)F
InChIInChI=1S/C22H42F4O/c1-3-5-7-9-11-12-14-16-18-20(17-15-13-10-8-6-4-2)19-27-22(25,26)21(23)24/h20-21H,3-19H2,1-2H3
InChIKeyTYECJZZHNQZSAK-UHFFFAOYSA-N
XLogP8.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.57
LogP ≤ 58.76
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

Perfluorohexylethyl dimethylbutyl ether
CID 10874009
11-(Butoxymethyl)tricosane
CID 87842016
2-Hexyldecyl octylether
CID 15032029
Bis[6-(perfluorohexyl)-2,4-dimethylhex-4-yl) ether
CID 87932263
1-[Chloro(difluoro)methoxy]-3,7-dimethyloctane
CID 101034477
Difluorothromboxane
CID 129674200
2-Decyltetradecyl ether
CID 22269547
Phytanyl ether
CID 22715350
Bis(3,7-dimethyl-1-octyl) ether
CID 85776278
11-(Hexoxymethyl)tricosane
CID 87840220
3-(5-Ethoxy-2,2,3,3-tetrafluoropentyl)-4-methyloxolane
CID 11778000
3-(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl)-4-methyloxolane
CID 85267668

Frequently Asked Questions

What is the IUPAC name of 9-(1,1,2,2-tetrafluoroethoxymethyl)nonadecane?
The IUPAC name of 9-(1,1,2,2-tetrafluoroethoxymethyl)nonadecane (CID 54339885) is 9-(1,1,2,2-tetrafluoroethoxymethyl)nonadecane.
What is the SMILES notation for 9-(1,1,2,2-tetrafluoroethoxymethyl)nonadecane?
The canonical SMILES for 9-(1,1,2,2-tetrafluoroethoxymethyl)nonadecane is CCCCCCCCCCC(CCCCCCCC)COC(F)(F)C(F)F.
What is the InChIKey of 9-(1,1,2,2-tetrafluoroethoxymethyl)nonadecane?
The InChIKey is TYECJZZHNQZSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42F4O/c1-3-5-7-9-11-12-14-16-18-20(17-15-13-10-8-6-4-2)19-27-22(25,26)21(23)24/h20-21H,3-19H2,1-2H3.
What are the key properties of 9-(1,1,2,2-tetrafluoroethoxymethyl)nonadecane?
9-(1,1,2,2-tetrafluoroethoxymethyl)nonadecane has a molecular weight of 398.57 g/mol, XLogP of 8.76, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,1,2,2-tetrafluoroethoxymethyl)nonadecane is sourced from PubChem (CID 54339885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).