1,1,2,2,3,3,4,4,6,6,7,7-dodecafluorononane

C9H8F12 — CID 168937554

IUPAC1,1,2,2,3,3,4,4,6,6,7,7-dodecafluorononane
SMILESCCC(F)(F)C(F)(F)CC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C9H8F12/c1-2-5(12,13)6(14,15)3-7(16,17)9(20,21)8(18,19)4(10)11/h4H,2-3H2,1H3
InChIKeyUKZGANHGMWIOJW-UHFFFAOYSA-N
MW344.14 g/mol
LogP5.23
Rot. Bonds7

About 1,1,2,2,3,3,4,4,6,6,7,7-dodecafluorononane

1,1,2,2,3,3,4,4,6,6,7,7-dodecafluorononane (PubChem CID 168937554) has the molecular formula C9H8F12 and a molecular weight of 344.14 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,6,6,7,7-dodecafluorononane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,6,6,7,7-dodecafluorononane
PubChem CID168937554
Molecular FormulaC9H8F12
Molecular Weight344.14 g/mol
Exact Mass344.04
IUPAC Name1,1,2,2,3,3,4,4,6,6,7,7-dodecafluorononane
SMILESCCC(F)(F)C(F)(F)CC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C9H8F12/c1-2-5(12,13)6(14,15)3-7(16,17)9(20,21)8(18,19)4(10)11/h4H,2-3H2,1H3
InChIKeyUKZGANHGMWIOJW-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.14
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,2,2,3,3,4,4,6,6,7,7-dodecafluorononane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,2,2,3,3,5,5,6,6-decafluorooctane
CID 59211715
1,1,1,2,2,3,3,5,5,6,6-undecafluorooctane
CID 59211709
1-(1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptane
CID 87506465
1,1,2,2,3,3,4,4,5,5,7,7-dodecafluorooctane
CID 163290381
1,1,2,2,3,3,4,4-octafluoro-5-iodopentane
CID 2775883
1,1,2,2,3,3,4,4-octafluorodecane
CID 10613179
tetrakis(2,2,3,3,4,4,5,5-octafluoropentyl)boranuide
CID 22465087
1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-henicosafluoroundecan-1-ol
CID 87824444
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorododecane
CID 163290372
2,2,3,3,4,4,5,5-octafluoropentyl hypoiodite
CID 148632122
ethoxyethane;1,1,1,2,2,3,3,4,4-nonafluorobutane
CID 87793625
5-(2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,2,3,3,4,4-octafluoropentane
CID 19761973

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,6,6,7,7-dodecafluorononane?
The IUPAC name of 1,1,2,2,3,3,4,4,6,6,7,7-dodecafluorononane (CID 168937554) is 1,1,2,2,3,3,4,4,6,6,7,7-dodecafluorononane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,6,6,7,7-dodecafluorononane?
The canonical SMILES for 1,1,2,2,3,3,4,4,6,6,7,7-dodecafluorononane is CCC(F)(F)C(F)(F)CC(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,6,6,7,7-dodecafluorononane?
The InChIKey is UKZGANHGMWIOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F12/c1-2-5(12,13)6(14,15)3-7(16,17)9(20,21)8(18,19)4(10)11/h4H,2-3H2,1H3.
What are the key properties of 1,1,2,2,3,3,4,4,6,6,7,7-dodecafluorononane?
1,1,2,2,3,3,4,4,6,6,7,7-dodecafluorononane has a molecular weight of 344.14 g/mol, XLogP of 5.23, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,6,6,7,7-dodecafluorononane is sourced from PubChem (CID 168937554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).