1,1,1,2,3,4,5,6,7,8-decafluorododecane

C12H16F10 — CID 162611334

IUPAC1,1,1,2,3,4,5,6,7,8-decafluorododecane
SMILESCCCCC(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)(F)F
InChIInChI=1S/C12H16F10/c1-2-3-4-5(13)6(14)7(15)8(16)9(17)10(18)11(19)12(20,21)22/h5-11H,2-4H2,1H3
InChIKeyBWDOPYZTINOWON-UHFFFAOYSA-N
MW350.24 g/mol
LogP5.11
Rot. Bonds9

About 1,1,1,2,3,4,5,6,7,8-decafluorododecane

1,1,1,2,3,4,5,6,7,8-decafluorododecane (PubChem CID 162611334) has the molecular formula C12H16F10 and a molecular weight of 350.24 g/mol. Its IUPAC name is 1,1,1,2,3,4,5,6,7,8-decafluorododecane.

Molecular Properties

Compound Name1,1,1,2,3,4,5,6,7,8-decafluorododecane
PubChem CID162611334
Molecular FormulaC12H16F10
Molecular Weight350.24 g/mol
Exact Mass350.11
IUPAC Name1,1,1,2,3,4,5,6,7,8-decafluorododecane
SMILESCCCCC(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)(F)F
InChIInChI=1S/C12H16F10/c1-2-3-4-5(13)6(14)7(15)8(16)9(17)10(18)11(19)12(20,21)22/h5-11H,2-4H2,1H3
InChIKeyBWDOPYZTINOWON-UHFFFAOYSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.24
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1,1,2-trifluorohexan-1-ol
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2-methylhexane;1,1,1-trifluoroethane
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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,4,5,6,7,8-decafluorododecane?
The IUPAC name of 1,1,1,2,3,4,5,6,7,8-decafluorododecane (CID 162611334) is 1,1,1,2,3,4,5,6,7,8-decafluorododecane.
What is the SMILES notation for 1,1,1,2,3,4,5,6,7,8-decafluorododecane?
The canonical SMILES for 1,1,1,2,3,4,5,6,7,8-decafluorododecane is CCCCC(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,4,5,6,7,8-decafluorododecane?
The InChIKey is BWDOPYZTINOWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F10/c1-2-3-4-5(13)6(14)7(15)8(16)9(17)10(18)11(19)12(20,21)22/h5-11H,2-4H2,1H3.
What are the key properties of 1,1,1,2,3,4,5,6,7,8-decafluorododecane?
1,1,1,2,3,4,5,6,7,8-decafluorododecane has a molecular weight of 350.24 g/mol, XLogP of 5.11, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,4,5,6,7,8-decafluorododecane is sourced from PubChem (CID 162611334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).