1,1,1,2-tetrakis(3,3,3-trifluoropropoxy)decane

C22H34F12O4 — CID 150127920

IUPAC1,1,1,2-tetrakis(3,3,3-trifluoropropoxy)decane
SMILESCCCCCCCCC(OCCC(F)(F)F)C(OCCC(F)(F)F)(OCCC(F)(F)F)OCCC(F)(F)F
InChIInChI=1S/C22H34F12O4/c1-2-3-4-5-6-7-8-17(35-13-9-18(23,24)25)22(36-14-10-19(26,27)28,37-15-11-20(29,30)31)38-16-12-21(32,33)34/h17H,2-16H2,1H3
InChIKeyFAPRQGQUBQJAMT-UHFFFAOYSA-N
MW590.49 g/mol
LogP8.64
Rot. Bonds20

About 1,1,1,2-tetrakis(3,3,3-trifluoropropoxy)decane

1,1,1,2-tetrakis(3,3,3-trifluoropropoxy)decane (PubChem CID 150127920) has the molecular formula C22H34F12O4 and a molecular weight of 590.49 g/mol. Its IUPAC name is 1,1,1,2-tetrakis(3,3,3-trifluoropropoxy)decane.

Molecular Properties

Compound Name1,1,1,2-tetrakis(3,3,3-trifluoropropoxy)decane
PubChem CID150127920
Molecular FormulaC22H34F12O4
Molecular Weight590.49 g/mol
Exact Mass590.23
IUPAC Name1,1,1,2-tetrakis(3,3,3-trifluoropropoxy)decane
SMILESCCCCCCCCC(OCCC(F)(F)F)C(OCCC(F)(F)F)(OCCC(F)(F)F)OCCC(F)(F)F
InChIInChI=1S/C22H34F12O4/c1-2-3-4-5-6-7-8-17(35-13-9-18(23,24)25)22(36-14-10-19(26,27)28,37-15-11-20(29,30)31)38-16-12-21(32,33)34/h17H,2-16H2,1H3
InChIKeyFAPRQGQUBQJAMT-UHFFFAOYSA-N
XLogP8.64
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.49
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-decoxy-1,1,1-tripropoxydecane
CID 161487302
tris(1,1,2-tributoxyoctyl) phosphate
CID 87576352
1,1,2-tributoxyoctyl dihydrogen phosphate
CID 87576353
7-(3,3,3-trifluoropropyl)tridecane
CID 126695367
1,1,1-trifluoro-4-methoxytridecane
CID 150822235
1,1,1-trifluoro-5-(trimethoxymethyl)tridecane
CID 150730779
1,1,1-trifluorotetradecan-4-amine
CID 79954086
1,1,1-trifluoro-4-methyldecane
CID 147899191
titanium;1,1,2-triheptoxyheptan-1-ol
CID 88526182
1-decoxy-2-heptoxy-2-hexoxy-1-nonoxy-1-octoxy-3-pentoxyundecane
CID 141115590
1,1,1-trifluorohexadecane
CID 15685316
N-[2-(3,3,3-trifluoropropoxy)propyl]pentan-1-amine
CID 82959356

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2-tetrakis(3,3,3-trifluoropropoxy)decane?
The IUPAC name of 1,1,1,2-tetrakis(3,3,3-trifluoropropoxy)decane (CID 150127920) is 1,1,1,2-tetrakis(3,3,3-trifluoropropoxy)decane.
What is the SMILES notation for 1,1,1,2-tetrakis(3,3,3-trifluoropropoxy)decane?
The canonical SMILES for 1,1,1,2-tetrakis(3,3,3-trifluoropropoxy)decane is CCCCCCCCC(OCCC(F)(F)F)C(OCCC(F)(F)F)(OCCC(F)(F)F)OCCC(F)(F)F.
What is the InChIKey of 1,1,1,2-tetrakis(3,3,3-trifluoropropoxy)decane?
The InChIKey is FAPRQGQUBQJAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34F12O4/c1-2-3-4-5-6-7-8-17(35-13-9-18(23,24)25)22(36-14-10-19(26,27)28,37-15-11-20(29,30)31)38-16-12-21(32,33)34/h17H,2-16H2,1H3.
What are the key properties of 1,1,1,2-tetrakis(3,3,3-trifluoropropoxy)decane?
1,1,1,2-tetrakis(3,3,3-trifluoropropoxy)decane has a molecular weight of 590.49 g/mol, XLogP of 8.64, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2-tetrakis(3,3,3-trifluoropropoxy)decane is sourced from PubChem (CID 150127920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).