7-[diamino(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silyl]-1,1,1,2,2,3,3,4,4,5,5-undecafluoroheptane

C14H12F22N2Si — CID 172814135

IUPAC7-[diamino(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silyl]-1,1,1,2,2,3,3,4,4,5,5-undecafluoroheptane
SMILESN[Si](N)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H12F22N2Si/c15-5(16,7(19,20)9(23,24)11(27,28)13(31,32)33)1-3-39(37,38)4-2-6(17,18)8(21,22)10(25,26)12(29,30)14(34,35)36/h1-4,37-38H2
InChIKeySOWUPIYYWRECRP-UHFFFAOYSA-N
MW654.31 g/mol
LogP7.33
Rot. Bonds12

About 7-[diamino(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silyl]-1,1,1,2,2,3,3,4,4,5,5-undecafluoroheptane

7-[diamino(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silyl]-1,1,1,2,2,3,3,4,4,5,5-undecafluoroheptane (PubChem CID 172814135) has the molecular formula C14H12F22N2Si and a molecular weight of 654.31 g/mol. Its IUPAC name is 7-[diamino(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silyl]-1,1,1,2,2,3,3,4,4,5,5-undecafluoroheptane.

Molecular Properties

Compound Name7-[diamino(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silyl]-1,1,1,2,2,3,3,4,4,5,5-undecafluoroheptane
PubChem CID172814135
Molecular FormulaC14H12F22N2Si
Molecular Weight654.31 g/mol
Exact Mass654.04
IUPAC Name7-[diamino(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silyl]-1,1,1,2,2,3,3,4,4,5,5-undecafluoroheptane
SMILESN[Si](N)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H12F22N2Si/c15-5(16,7(19,20)9(23,24)11(27,28)13(31,32)33)1-3-39(37,38)4-2-6(17,18)8(21,22)10(25,26)12(29,30)14(34,35)36/h1-4,37-38H2
InChIKeySOWUPIYYWRECRP-UHFFFAOYSA-N
XLogP7.33
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.31
LogP ≤ 57.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-[diamino(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silyl]-1,1,1,2,2,3,3,4,4,5,5-undecafluoroheptane with MolForge

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Related Compounds

10-[diamino(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecyl)silyl]-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorodecane
CID 172827881
9-[diamino(5,5,6,6,7,7,8,8,9,9,9-undecafluorononyl)silyl]-1,1,1,2,2,3,3,4,4,5,5-undecafluorononane
CID 172693131
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CID 2782914
7-[diamino(5,5,6,6,7,7,7-heptafluoroheptyl)silyl]-1,1,1,2,2,3,3-heptafluoroheptane
CID 172778542
dichloro-bis(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane
CID 121233877
dichloro-methyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecyl)silane
CID 101217112
ethenyl-tris(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane
CID 101381950
ethane;trichloro(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane
CID 91160276
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-hentriacontafluoroheptadecyl(trimethoxy)silane
CID 175694492
3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononan-1-amine
CID 154642605
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-1-amine
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CID 59112310

Frequently Asked Questions

What is the IUPAC name of 7-[diamino(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silyl]-1,1,1,2,2,3,3,4,4,5,5-undecafluoroheptane?
The IUPAC name of 7-[diamino(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silyl]-1,1,1,2,2,3,3,4,4,5,5-undecafluoroheptane (CID 172814135) is 7-[diamino(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silyl]-1,1,1,2,2,3,3,4,4,5,5-undecafluoroheptane.
What is the SMILES notation for 7-[diamino(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silyl]-1,1,1,2,2,3,3,4,4,5,5-undecafluoroheptane?
The canonical SMILES for 7-[diamino(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silyl]-1,1,1,2,2,3,3,4,4,5,5-undecafluoroheptane is N[Si](N)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 7-[diamino(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silyl]-1,1,1,2,2,3,3,4,4,5,5-undecafluoroheptane?
The InChIKey is SOWUPIYYWRECRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F22N2Si/c15-5(16,7(19,20)9(23,24)11(27,28)13(31,32)33)1-3-39(37,38)4-2-6(17,18)8(21,22)10(25,26)12(29,30)14(34,35)36/h1-4,37-38H2.
What are the key properties of 7-[diamino(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silyl]-1,1,1,2,2,3,3,4,4,5,5-undecafluoroheptane?
7-[diamino(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silyl]-1,1,1,2,2,3,3,4,4,5,5-undecafluoroheptane has a molecular weight of 654.31 g/mol, XLogP of 7.33, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[diamino(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silyl]-1,1,1,2,2,3,3,4,4,5,5-undecafluoroheptane is sourced from PubChem (CID 172814135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).