1,1,1,2,3,3,7,7,8,9,9,9-dodecafluoro-4-methylnonane

C10H10F12 — CID 10570347

IUPAC1,1,1,2,3,3,7,7,8,9,9,9-dodecafluoro-4-methylnonane
SMILESCC(CCC(F)(F)C(F)C(F)(F)F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C10H10F12/c1-4(8(15,16)6(12)10(20,21)22)2-3-7(13,14)5(11)9(17,18)19/h4-6H,2-3H2,1H3
InChIKeySSEIJTRVRYKJRR-UHFFFAOYSA-N
MW358.17 g/mol
LogP5.47
Rot. Bonds6

About 1,1,1,2,3,3,7,7,8,9,9,9-dodecafluoro-4-methylnonane

1,1,1,2,3,3,7,7,8,9,9,9-dodecafluoro-4-methylnonane (PubChem CID 10570347) has the molecular formula C10H10F12 and a molecular weight of 358.17 g/mol. Its IUPAC name is 1,1,1,2,3,3,7,7,8,9,9,9-dodecafluoro-4-methylnonane.

Molecular Properties

Compound Name1,1,1,2,3,3,7,7,8,9,9,9-dodecafluoro-4-methylnonane
PubChem CID10570347
Molecular FormulaC10H10F12
Molecular Weight358.17 g/mol
Exact Mass358.06
IUPAC Name1,1,1,2,3,3,7,7,8,9,9,9-dodecafluoro-4-methylnonane
SMILESCC(CCC(F)(F)C(F)C(F)(F)F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C10H10F12/c1-4(8(15,16)6(12)10(20,21)22)2-3-7(13,14)5(11)9(17,18)19/h4-6H,2-3H2,1H3
InChIKeySSEIJTRVRYKJRR-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.17
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3,7,7,8,9,9,9-dodecafluoro-4-methylnonane?
The IUPAC name of 1,1,1,2,3,3,7,7,8,9,9,9-dodecafluoro-4-methylnonane (CID 10570347) is 1,1,1,2,3,3,7,7,8,9,9,9-dodecafluoro-4-methylnonane.
What is the SMILES notation for 1,1,1,2,3,3,7,7,8,9,9,9-dodecafluoro-4-methylnonane?
The canonical SMILES for 1,1,1,2,3,3,7,7,8,9,9,9-dodecafluoro-4-methylnonane is CC(CCC(F)(F)C(F)C(F)(F)F)C(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3,7,7,8,9,9,9-dodecafluoro-4-methylnonane?
The InChIKey is SSEIJTRVRYKJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F12/c1-4(8(15,16)6(12)10(20,21)22)2-3-7(13,14)5(11)9(17,18)19/h4-6H,2-3H2,1H3.
What are the key properties of 1,1,1,2,3,3,7,7,8,9,9,9-dodecafluoro-4-methylnonane?
1,1,1,2,3,3,7,7,8,9,9,9-dodecafluoro-4-methylnonane has a molecular weight of 358.17 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,7,7,8,9,9,9-dodecafluoro-4-methylnonane is sourced from PubChem (CID 10570347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).