1,1,1,7,7,7-hexafluoro-3,4,5-tris(trifluoromethyl)heptane

C10H7F15 — CID 155426973

IUPAC1,1,1,7,7,7-hexafluoro-3,4,5-tris(trifluoromethyl)heptane
SMILESFC(F)(F)CC(C(C(CC(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H7F15/c11-6(12,13)1-3(8(17,18)19)5(10(23,24)25)4(9(20,21)22)2-7(14,15)16/h3-5H,1-2H2
InChIKeyNULMMFDUTJPZHP-UHFFFAOYSA-N
MW412.14 g/mol
LogP6.43
Rot. Bonds4

About 1,1,1,7,7,7-hexafluoro-3,4,5-tris(trifluoromethyl)heptane

1,1,1,7,7,7-hexafluoro-3,4,5-tris(trifluoromethyl)heptane (PubChem CID 155426973) has the molecular formula C10H7F15 and a molecular weight of 412.14 g/mol. Its IUPAC name is 1,1,1,7,7,7-hexafluoro-3,4,5-tris(trifluoromethyl)heptane.

Molecular Properties

Compound Name1,1,1,7,7,7-hexafluoro-3,4,5-tris(trifluoromethyl)heptane
PubChem CID155426973
Molecular FormulaC10H7F15
Molecular Weight412.14 g/mol
Exact Mass412.03
IUPAC Name1,1,1,7,7,7-hexafluoro-3,4,5-tris(trifluoromethyl)heptane
SMILESFC(F)(F)CC(C(C(CC(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H7F15/c11-6(12,13)1-3(8(17,18)19)5(10(23,24)25)4(9(20,21)22)2-7(14,15)16/h3-5H,1-2H2
InChIKeyNULMMFDUTJPZHP-UHFFFAOYSA-N
XLogP6.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.14
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,7,7,7-hexafluoro-3,4,5-tris(trifluoromethyl)heptane?
The IUPAC name of 1,1,1,7,7,7-hexafluoro-3,4,5-tris(trifluoromethyl)heptane (CID 155426973) is 1,1,1,7,7,7-hexafluoro-3,4,5-tris(trifluoromethyl)heptane.
What is the SMILES notation for 1,1,1,7,7,7-hexafluoro-3,4,5-tris(trifluoromethyl)heptane?
The canonical SMILES for 1,1,1,7,7,7-hexafluoro-3,4,5-tris(trifluoromethyl)heptane is FC(F)(F)CC(C(C(CC(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,7,7,7-hexafluoro-3,4,5-tris(trifluoromethyl)heptane?
The InChIKey is NULMMFDUTJPZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F15/c11-6(12,13)1-3(8(17,18)19)5(10(23,24)25)4(9(20,21)22)2-7(14,15)16/h3-5H,1-2H2.
What are the key properties of 1,1,1,7,7,7-hexafluoro-3,4,5-tris(trifluoromethyl)heptane?
1,1,1,7,7,7-hexafluoro-3,4,5-tris(trifluoromethyl)heptane has a molecular weight of 412.14 g/mol, XLogP of 6.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,7,7,7-hexafluoro-3,4,5-tris(trifluoromethyl)heptane is sourced from PubChem (CID 155426973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).