1,1,1,2,2,3,4,5,5,5-decafluoro-3-(trifluoromethyl)pentane

C6HF13 — CID 91322713

IUPAC1,1,1,2,2,3,4,5,5,5-decafluoro-3-(trifluoromethyl)pentane
SMILESFC(C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6HF13/c7-1(3(9,10)11)2(8,5(14,15)16)4(12,13)6(17,18)19/h1H
InChIKeyGLQIRDTVEVWSPQ-UHFFFAOYSA-N
MW320.05 g/mol
LogP4.36
Rot. Bonds2

About 1,1,1,2,2,3,4,5,5,5-decafluoro-3-(trifluoromethyl)pentane

1,1,1,2,2,3,4,5,5,5-decafluoro-3-(trifluoromethyl)pentane (PubChem CID 91322713) has the molecular formula C6HF13 and a molecular weight of 320.05 g/mol. Its IUPAC name is 1,1,1,2,2,3,4,5,5,5-decafluoro-3-(trifluoromethyl)pentane.

Molecular Properties

Compound Name1,1,1,2,2,3,4,5,5,5-decafluoro-3-(trifluoromethyl)pentane
PubChem CID91322713
Molecular FormulaC6HF13
Molecular Weight320.05 g/mol
Exact Mass319.99
IUPAC Name1,1,1,2,2,3,4,5,5,5-decafluoro-3-(trifluoromethyl)pentane
SMILESFC(C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6HF13/c7-1(3(9,10)11)2(8,5(14,15)16)4(12,13)6(17,18)19/h1H
InChIKeyGLQIRDTVEVWSPQ-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.05
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4,4-bis(difluoromethyl)-1,1,1,2,2,3,3,5,5-nonafluoropentane
CID 140534073
1,1,1,2,3,4,5,5,5-nonafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-(trifluoromethyl)pentane
CID 88558617
1,1,1,2,3,3,3-heptafluoropropane;1,1,1,2,3,3,3-heptafluoropropan-2-ol
CID 87660779
1,1,1,2,2,3,3,3-octafluoropropane
CID 6432
1,1,1,2,3,4,5,5,5-nonafluoro-2-methyl-4-(trifluoromethyl)pentane
CID 54544362
(2S)-1-bromo-1,1,2,3,3,3-hexafluoropropane
CID 95036254
1,1,2,3,3,3-hexafluoropropan-1-ol;silane
CID 174461418
1,1,1,2,2,3,3,4,5,5,6,6-dodecafluoro-6-iodohexane
CID 88645116
1,1,1,2,2,3,3,4,4,5,5,6,7,8,8,8-hexadecafluorooctane
CID 21256020
CID 175811708
CID 175811708
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913
1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
CID 175814235

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,4,5,5,5-decafluoro-3-(trifluoromethyl)pentane?
The IUPAC name of 1,1,1,2,2,3,4,5,5,5-decafluoro-3-(trifluoromethyl)pentane (CID 91322713) is 1,1,1,2,2,3,4,5,5,5-decafluoro-3-(trifluoromethyl)pentane.
What is the SMILES notation for 1,1,1,2,2,3,4,5,5,5-decafluoro-3-(trifluoromethyl)pentane?
The canonical SMILES for 1,1,1,2,2,3,4,5,5,5-decafluoro-3-(trifluoromethyl)pentane is FC(C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,4,5,5,5-decafluoro-3-(trifluoromethyl)pentane?
The InChIKey is GLQIRDTVEVWSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF13/c7-1(3(9,10)11)2(8,5(14,15)16)4(12,13)6(17,18)19/h1H.
What are the key properties of 1,1,1,2,2,3,4,5,5,5-decafluoro-3-(trifluoromethyl)pentane?
1,1,1,2,2,3,4,5,5,5-decafluoro-3-(trifluoromethyl)pentane has a molecular weight of 320.05 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,4,5,5,5-decafluoro-3-(trifluoromethyl)pentane is sourced from PubChem (CID 91322713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).