1,1,1,3,3,7,7,9,9,9-decafluoro-5-propylnonane

C12H16F10 — CID 159243548

IUPAC1,1,1,3,3,7,7,9,9,9-decafluoro-5-propylnonane
SMILESCCCC(CC(F)(F)CC(F)(F)F)CC(F)(F)CC(F)(F)F
InChIInChI=1S/C12H16F10/c1-2-3-8(4-9(13,14)6-11(17,18)19)5-10(15,16)7-12(20,21)22/h8H,2-7H2,1H3
InChIKeyCPPFYXGVWIGTMN-UHFFFAOYSA-N
MW350.24 g/mol
LogP6.36
Rot. Bonds8

About 1,1,1,3,3,7,7,9,9,9-decafluoro-5-propylnonane

1,1,1,3,3,7,7,9,9,9-decafluoro-5-propylnonane (PubChem CID 159243548) has the molecular formula C12H16F10 and a molecular weight of 350.24 g/mol. Its IUPAC name is 1,1,1,3,3,7,7,9,9,9-decafluoro-5-propylnonane.

Molecular Properties

Compound Name1,1,1,3,3,7,7,9,9,9-decafluoro-5-propylnonane
PubChem CID159243548
Molecular FormulaC12H16F10
Molecular Weight350.24 g/mol
Exact Mass350.11
IUPAC Name1,1,1,3,3,7,7,9,9,9-decafluoro-5-propylnonane
SMILESCCCC(CC(F)(F)CC(F)(F)F)CC(F)(F)CC(F)(F)F
InChIInChI=1S/C12H16F10/c1-2-3-8(4-9(13,14)6-11(17,18)19)5-10(15,16)7-12(20,21)22/h8H,2-7H2,1H3
InChIKeyCPPFYXGVWIGTMN-UHFFFAOYSA-N
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.24
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,7,7,9,9,9-decafluoro-5-propylnonane?
The IUPAC name of 1,1,1,3,3,7,7,9,9,9-decafluoro-5-propylnonane (CID 159243548) is 1,1,1,3,3,7,7,9,9,9-decafluoro-5-propylnonane.
What is the SMILES notation for 1,1,1,3,3,7,7,9,9,9-decafluoro-5-propylnonane?
The canonical SMILES for 1,1,1,3,3,7,7,9,9,9-decafluoro-5-propylnonane is CCCC(CC(F)(F)CC(F)(F)F)CC(F)(F)CC(F)(F)F.
What is the InChIKey of 1,1,1,3,3,7,7,9,9,9-decafluoro-5-propylnonane?
The InChIKey is CPPFYXGVWIGTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F10/c1-2-3-8(4-9(13,14)6-11(17,18)19)5-10(15,16)7-12(20,21)22/h8H,2-7H2,1H3.
What are the key properties of 1,1,1,3,3,7,7,9,9,9-decafluoro-5-propylnonane?
1,1,1,3,3,7,7,9,9,9-decafluoro-5-propylnonane has a molecular weight of 350.24 g/mol, XLogP of 6.36, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,7,7,9,9,9-decafluoro-5-propylnonane is sourced from PubChem (CID 159243548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).