1,1,1,2,3,3,4,4,5,7,7,7-dodecafluoroheptane

C7H4F12 — CID 175358537

IUPAC1,1,1,2,3,3,4,4,5,7,7,7-dodecafluoroheptane
SMILESFC(CC(F)(F)F)C(F)(F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C7H4F12/c8-2(1-4(10,11)12)5(13,14)6(15,16)3(9)7(17,18)19/h2-3H,1H2
InChIKeyKIUGMPHGCXKCGS-UHFFFAOYSA-N
MW316.09 g/mol
LogP4.45
Rot. Bonds4

About 1,1,1,2,3,3,4,4,5,7,7,7-dodecafluoroheptane

1,1,1,2,3,3,4,4,5,7,7,7-dodecafluoroheptane (PubChem CID 175358537) has the molecular formula C7H4F12 and a molecular weight of 316.09 g/mol. Its IUPAC name is 1,1,1,2,3,3,4,4,5,7,7,7-dodecafluoroheptane.

Molecular Properties

Compound Name1,1,1,2,3,3,4,4,5,7,7,7-dodecafluoroheptane
PubChem CID175358537
Molecular FormulaC7H4F12
Molecular Weight316.09 g/mol
Exact Mass316.01
IUPAC Name1,1,1,2,3,3,4,4,5,7,7,7-dodecafluoroheptane
SMILESFC(CC(F)(F)F)C(F)(F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C7H4F12/c8-2(1-4(10,11)12)5(13,14)6(15,16)3(9)7(17,18)19/h2-3H,1H2
InChIKeyKIUGMPHGCXKCGS-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.09
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3,4,4,5,7,7,7-dodecafluoroheptane?
The IUPAC name of 1,1,1,2,3,3,4,4,5,7,7,7-dodecafluoroheptane (CID 175358537) is 1,1,1,2,3,3,4,4,5,7,7,7-dodecafluoroheptane.
What is the SMILES notation for 1,1,1,2,3,3,4,4,5,7,7,7-dodecafluoroheptane?
The canonical SMILES for 1,1,1,2,3,3,4,4,5,7,7,7-dodecafluoroheptane is FC(CC(F)(F)F)C(F)(F)C(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3,4,4,5,7,7,7-dodecafluoroheptane?
The InChIKey is KIUGMPHGCXKCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F12/c8-2(1-4(10,11)12)5(13,14)6(15,16)3(9)7(17,18)19/h2-3H,1H2.
What are the key properties of 1,1,1,2,3,3,4,4,5,7,7,7-dodecafluoroheptane?
1,1,1,2,3,3,4,4,5,7,7,7-dodecafluoroheptane has a molecular weight of 316.09 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,4,4,5,7,7,7-dodecafluoroheptane is sourced from PubChem (CID 175358537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).