3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)decane-1,10-diamine

C11H12F14N2 — CID 10252560

IUPAC3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)decane-1,10-diamine
SMILESNCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(CCN)C(F)(F)F
InChIInChI=1S/C11H12F14N2/c12-5(1-3-26,11(23,24)25)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)2-4-27/h1-4,26-27H2
InChIKeyVCLATTSWRJFEBB-UHFFFAOYSA-N
MW438.20 g/mol
LogP4.13
Rot. Bonds9

About 3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)decane-1,10-diamine

3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)decane-1,10-diamine (PubChem CID 10252560) has the molecular formula C11H12F14N2 and a molecular weight of 438.20 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)decane-1,10-diamine.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)decane-1,10-diamine
PubChem CID10252560
Molecular FormulaC11H12F14N2
Molecular Weight438.20 g/mol
Exact Mass438.08
IUPAC Name3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)decane-1,10-diamine
SMILESNCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(CCN)C(F)(F)F
InChIInChI=1S/C11H12F14N2/c12-5(1-3-26,11(23,24)25)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)2-4-27/h1-4,26-27H2
InChIKeyVCLATTSWRJFEBB-UHFFFAOYSA-N
XLogP4.13
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.20
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)decane-1,10-diamine?
The IUPAC name of 3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)decane-1,10-diamine (CID 10252560) is 3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)decane-1,10-diamine.
What is the SMILES notation for 3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)decane-1,10-diamine?
The canonical SMILES for 3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)decane-1,10-diamine is NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(CCN)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)decane-1,10-diamine?
The InChIKey is VCLATTSWRJFEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F14N2/c12-5(1-3-26,11(23,24)25)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)2-4-27/h1-4,26-27H2.
What are the key properties of 3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)decane-1,10-diamine?
3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)decane-1,10-diamine has a molecular weight of 438.20 g/mol, XLogP of 4.13, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)decane-1,10-diamine is sourced from PubChem (CID 10252560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).