1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)hexan-1-amine

C9HF20N — CID 90982918

IUPAC1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)hexan-1-amine
SMILESFC(F)(F)C(F)(F)C(F)(F)NC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9HF20N/c10-1(11,3(14,15)6(20,21)22)2(12,13)4(16,17)8(26,27)30-9(28,29)5(18,19)7(23,24)25/h30H
InChIKeyATEBCPSBTSJVHB-UHFFFAOYSA-N
MW503.07 g/mol
LogP6.06
Rot. Bonds7

About 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)hexan-1-amine

1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)hexan-1-amine (PubChem CID 90982918) has the molecular formula C9HF20N and a molecular weight of 503.07 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)hexan-1-amine.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)hexan-1-amine
PubChem CID90982918
Molecular FormulaC9HF20N
Molecular Weight503.07 g/mol
Exact Mass502.98
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)hexan-1-amine
SMILESFC(F)(F)C(F)(F)C(F)(F)NC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9HF20N/c10-1(11,3(14,15)6(20,21)22)2(12,13)4(16,17)8(26,27)30-9(28,29)5(18,19)7(23,24)25/h30H
InChIKeyATEBCPSBTSJVHB-UHFFFAOYSA-N
XLogP6.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.07
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)hexan-1-amine with MolForge

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Related Compounds

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)hydroxylamine
CID 54500305
18-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,19,19,19-octatriacontafluoro-N-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-heptatriacontafluorooctadecyl)nonadecan-1-amine
CID 146310584
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane;hydrochloride
CID 172708323
N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctan-1-amine
CID 87370892
CID 175811708
CID 175811708
1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
CID 175814235
1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoro-7-(trifluoromethylamino)heptan-1-ol
CID 87846440
1,6-dibromo-1,1,2,2,3,3,4,4,5,5,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-dotriacontafluorohexadecane
CID 152609331
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methyloctan-2-ol
CID 14007658
1,1,1,2,2,3,3,3-octafluoropropane
CID 6432

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)hexan-1-amine?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)hexan-1-amine (CID 90982918) is 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)hexan-1-amine.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)hexan-1-amine?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)hexan-1-amine is FC(F)(F)C(F)(F)C(F)(F)NC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)hexan-1-amine?
The InChIKey is ATEBCPSBTSJVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9HF20N/c10-1(11,3(14,15)6(20,21)22)2(12,13)4(16,17)8(26,27)30-9(28,29)5(18,19)7(23,24)25/h30H.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)hexan-1-amine?
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)hexan-1-amine has a molecular weight of 503.07 g/mol, XLogP of 6.06, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)hexan-1-amine is sourced from PubChem (CID 90982918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).