1,1,2,2,3,3,4,5,6,6,6-undecafluorohex-4-en-1-amine

C6H2F11N — CID 173458712

IUPAC1,1,2,2,3,3,4,5,6,6,6-undecafluorohex-4-en-1-amine
SMILESNC(F)(F)C(F)(F)C(F)(F)C(F)=C(F)C(F)(F)F
InChIInChI=1S/C6H2F11N/c7-1(2(8)4(11,12)13)3(9,10)5(14,15)6(16,17)18/h18H2
InChIKeyABWVLUTYZBHHTQ-UHFFFAOYSA-N
MW297.07 g/mol
LogP3.52
Rot. Bonds3

About 1,1,2,2,3,3,4,5,6,6,6-undecafluorohex-4-en-1-amine

1,1,2,2,3,3,4,5,6,6,6-undecafluorohex-4-en-1-amine (PubChem CID 173458712) has the molecular formula C6H2F11N and a molecular weight of 297.07 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,5,6,6,6-undecafluorohex-4-en-1-amine.

Molecular Properties

Compound Name1,1,2,2,3,3,4,5,6,6,6-undecafluorohex-4-en-1-amine
PubChem CID173458712
Molecular FormulaC6H2F11N
Molecular Weight297.07 g/mol
Exact Mass297.00
IUPAC Name1,1,2,2,3,3,4,5,6,6,6-undecafluorohex-4-en-1-amine
SMILESNC(F)(F)C(F)(F)C(F)(F)C(F)=C(F)C(F)(F)F
InChIInChI=1S/C6H2F11N/c7-1(2(8)4(11,12)13)3(9,10)5(14,15)6(16,17)18/h18H2
InChIKeyABWVLUTYZBHHTQ-UHFFFAOYSA-N
XLogP3.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.07
LogP ≤ 53.52
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'}

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Related Compounds

(E)-1,1,1,2,3,4,4,5,5,6,6,7-dodecafluorohept-2-ene
CID 87277497
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,13,13,13-pentacosafluorotridec-11-en-1-ol
CID 155293270
1,1,2,2,3,3,4,5,6,6,6-undecafluorohex-4-ene-1-sulfonic acid
CID 155293424
1,1,1,2,2,3,3,4,4,5,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tetracosafluorododec-5-ene
CID 85237088
1,1,1,2,3,4,4,4-octafluorobut-2-ene;1,1,2,3,3,4,4,4-octafluorobut-1-ene
CID 173307973
(E)-1,1,2,3,4,4,4-heptafluorobut-2-en-1-ol
CID 139594305
1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-(trifluoromethyl)hex-2-ene
CID 71362192
(E)-1,1,1,2,3,4-hexafluoro-4-methylpent-2-ene
CID 163535527
1,1,1,3,4,4,4-heptafluorobut-2-en-2-amine
CID 162536579
1,1,2,3,3,3-hexafluoroprop-1-ene;dihydrobromide
CID 88822630
1,1,2,3,3,3-hexafluoroprop-1-ene hexafluoride
CID 158507294
1,1,2,3,3,3-hexafluoroprop-1-ene;dihydrofluoride
CID 162622378

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,5,6,6,6-undecafluorohex-4-en-1-amine?
The IUPAC name of 1,1,2,2,3,3,4,5,6,6,6-undecafluorohex-4-en-1-amine (CID 173458712) is 1,1,2,2,3,3,4,5,6,6,6-undecafluorohex-4-en-1-amine.
What is the SMILES notation for 1,1,2,2,3,3,4,5,6,6,6-undecafluorohex-4-en-1-amine?
The canonical SMILES for 1,1,2,2,3,3,4,5,6,6,6-undecafluorohex-4-en-1-amine is NC(F)(F)C(F)(F)C(F)(F)C(F)=C(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,5,6,6,6-undecafluorohex-4-en-1-amine?
The InChIKey is ABWVLUTYZBHHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F11N/c7-1(2(8)4(11,12)13)3(9,10)5(14,15)6(16,17)18/h18H2.
What are the key properties of 1,1,2,2,3,3,4,5,6,6,6-undecafluorohex-4-en-1-amine?
1,1,2,2,3,3,4,5,6,6,6-undecafluorohex-4-en-1-amine has a molecular weight of 297.07 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,5,6,6,6-undecafluorohex-4-en-1-amine is sourced from PubChem (CID 173458712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).