1,1,1,2,2,4-hexafluoro-3-(1-fluoroethyl)-3-[1,1,1,2,2,4-hexafluoro-3-(1-fluoroethyl)pentan-3-yl]oxypentane

C14H16F14O — CID 121250084

IUPAC1,1,1,2,2,4-hexafluoro-3-(1-fluoroethyl)-3-[1,1,1,2,2,4-hexafluoro-3-(1-fluoroethyl)pentan-3-yl]oxypentane
SMILESCC(F)C(OC(C(C)F)(C(C)F)C(F)(F)C(F)(F)F)(C(C)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H16F14O/c1-5(15)9(6(2)16,11(19,20)13(23,24)25)29-10(7(3)17,8(4)18)12(21,22)14(26,27)28/h5-8H,1-4H3
InChIKeyRWFDCFGCYHNYMQ-UHFFFAOYSA-N
MW466.25 g/mol
LogP6.31
Rot. Bonds8

About 1,1,1,2,2,4-hexafluoro-3-(1-fluoroethyl)-3-[1,1,1,2,2,4-hexafluoro-3-(1-fluoroethyl)pentan-3-yl]oxypentane

1,1,1,2,2,4-hexafluoro-3-(1-fluoroethyl)-3-[1,1,1,2,2,4-hexafluoro-3-(1-fluoroethyl)pentan-3-yl]oxypentane (PubChem CID 121250084) has the molecular formula C14H16F14O and a molecular weight of 466.25 g/mol. Its IUPAC name is 1,1,1,2,2,4-hexafluoro-3-(1-fluoroethyl)-3-[1,1,1,2,2,4-hexafluoro-3-(1-fluoroethyl)pentan-3-yl]oxypentane.

Molecular Properties

Compound Name1,1,1,2,2,4-hexafluoro-3-(1-fluoroethyl)-3-[1,1,1,2,2,4-hexafluoro-3-(1-fluoroethyl)pentan-3-yl]oxypentane
PubChem CID121250084
Molecular FormulaC14H16F14O
Molecular Weight466.25 g/mol
Exact Mass466.10
IUPAC Name1,1,1,2,2,4-hexafluoro-3-(1-fluoroethyl)-3-[1,1,1,2,2,4-hexafluoro-3-(1-fluoroethyl)pentan-3-yl]oxypentane
SMILESCC(F)C(OC(C(C)F)(C(C)F)C(F)(F)C(F)(F)F)(C(C)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H16F14O/c1-5(15)9(6(2)16,11(19,20)13(23,24)25)29-10(7(3)17,8(4)18)12(21,22)14(26,27)28/h5-8H,1-4H3
InChIKeyRWFDCFGCYHNYMQ-UHFFFAOYSA-N
XLogP6.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.25
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-bromo-8-(3-bromo-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methyldecan-3-yl)oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-methyldecane
CID 22906175
trimethyl(1,2,2,3,3,4,4,4-octafluorobutyl)phosphanium chloride
CID 87697367
1,1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-octadecafluoro-5-methylnonane
CID 87315468
1,1,1,2,2,3,3,3-octafluoropropane
CID 6432
(2S)-3,3,4,4,5,5,5-heptafluoropentan-2-amine
CID 96572524
2,3,3,4,4,4-hexafluorobutan-2-yl hypoiodite
CID 122591444
5-(2,3,3,4,4,5,5,6,6,6-decafluorohexan-2-yloxy)-1,1,1,2,2,3,3,4,4,5-decafluorohexane
CID 155147348
1,1,1,2,2,3,3,4,5,5,6,6,6-tridecafluoro-4-(1,1,1,2,2,3,4,4,5,5,6,6,6-tridecafluorohexan-3-yloxy)hexane
CID 13450994
1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane
CID 59685373
1,1,1,2,2,3,3-heptafluoro-3-(1,1,2-trichloro-2-fluoroethoxy)propane
CID 175726700
ethoxyethane;1,1,1,2,2,3,3,4,4-nonafluorobutane
CID 87793625
1-di(propan-2-yloxy)phosphoryl-3,3,4,4,5,5,5-heptafluoropent-1-yne
CID 134922874

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,4-hexafluoro-3-(1-fluoroethyl)-3-[1,1,1,2,2,4-hexafluoro-3-(1-fluoroethyl)pentan-3-yl]oxypentane?
The IUPAC name of 1,1,1,2,2,4-hexafluoro-3-(1-fluoroethyl)-3-[1,1,1,2,2,4-hexafluoro-3-(1-fluoroethyl)pentan-3-yl]oxypentane (CID 121250084) is 1,1,1,2,2,4-hexafluoro-3-(1-fluoroethyl)-3-[1,1,1,2,2,4-hexafluoro-3-(1-fluoroethyl)pentan-3-yl]oxypentane.
What is the SMILES notation for 1,1,1,2,2,4-hexafluoro-3-(1-fluoroethyl)-3-[1,1,1,2,2,4-hexafluoro-3-(1-fluoroethyl)pentan-3-yl]oxypentane?
The canonical SMILES for 1,1,1,2,2,4-hexafluoro-3-(1-fluoroethyl)-3-[1,1,1,2,2,4-hexafluoro-3-(1-fluoroethyl)pentan-3-yl]oxypentane is CC(F)C(OC(C(C)F)(C(C)F)C(F)(F)C(F)(F)F)(C(C)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,4-hexafluoro-3-(1-fluoroethyl)-3-[1,1,1,2,2,4-hexafluoro-3-(1-fluoroethyl)pentan-3-yl]oxypentane?
The InChIKey is RWFDCFGCYHNYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F14O/c1-5(15)9(6(2)16,11(19,20)13(23,24)25)29-10(7(3)17,8(4)18)12(21,22)14(26,27)28/h5-8H,1-4H3.
What are the key properties of 1,1,1,2,2,4-hexafluoro-3-(1-fluoroethyl)-3-[1,1,1,2,2,4-hexafluoro-3-(1-fluoroethyl)pentan-3-yl]oxypentane?
1,1,1,2,2,4-hexafluoro-3-(1-fluoroethyl)-3-[1,1,1,2,2,4-hexafluoro-3-(1-fluoroethyl)pentan-3-yl]oxypentane has a molecular weight of 466.25 g/mol, XLogP of 6.31, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,4-hexafluoro-3-(1-fluoroethyl)-3-[1,1,1,2,2,4-hexafluoro-3-(1-fluoroethyl)pentan-3-yl]oxypentane is sourced from PubChem (CID 121250084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).