(E)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-methyl-2-(trifluoromethyl)pent-3-en-2-amine

C10H4F17N — CID 134881216

IUPAC(E)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-methyl-2-(trifluoromethyl)pent-3-en-2-amine
SMILESCNC(/C(=C(\F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H4F17N/c1-28-5(9(22,23)24,10(25,26)27)2(3(11)6(13,14)15)4(12,7(16,17)18)8(19,20)21/h28H,1H3/b3-2-
InChIKeyPOWOLTNORVTSCC-IHWYPQMZSA-N
MW461.12 g/mol
LogP5.69
Rot. Bonds3

About (E)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-methyl-2-(trifluoromethyl)pent-3-en-2-amine

(E)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-methyl-2-(trifluoromethyl)pent-3-en-2-amine (PubChem CID 134881216) has the molecular formula C10H4F17N and a molecular weight of 461.12 g/mol. Its IUPAC name is (E)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-methyl-2-(trifluoromethyl)pent-3-en-2-amine.

Molecular Properties

Compound Name(E)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-methyl-2-(trifluoromethyl)pent-3-en-2-amine
PubChem CID134881216
Molecular FormulaC10H4F17N
Molecular Weight461.12 g/mol
Exact Mass461.01
IUPAC Name(E)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-methyl-2-(trifluoromethyl)pent-3-en-2-amine
SMILESCNC(/C(=C(\F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H4F17N/c1-28-5(9(22,23)24,10(25,26)27)2(3(11)6(13,14)15)4(12,7(16,17)18)8(19,20)21/h28H,1H3/b3-2-
InChIKeyPOWOLTNORVTSCC-IHWYPQMZSA-N
XLogP5.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.12
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (E)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-methyl-2-(trifluoromethyl)pent-3-en-2-amine with MolForge

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Related Compounds

3,4-dimethyl-6,6-bis(trifluoromethyl)-2,5-dihydro-1H-pyridine
CID 23233577
(E)-N-ethyl-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)pent-3-en-2-amine
CID 134881266
(E)-N-butyl-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)pent-3-en-2-amine
CID 134881350
(E)-1,1,1,2,2,5,6,6,6-nonafluoro-N-methyl-3,4-bis(trifluoromethyl)hex-4-en-3-amine
CID 21732816

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-methyl-2-(trifluoromethyl)pent-3-en-2-amine?
The IUPAC name of (E)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-methyl-2-(trifluoromethyl)pent-3-en-2-amine (CID 134881216) is (E)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-methyl-2-(trifluoromethyl)pent-3-en-2-amine.
What is the SMILES notation for (E)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-methyl-2-(trifluoromethyl)pent-3-en-2-amine?
The canonical SMILES for (E)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-methyl-2-(trifluoromethyl)pent-3-en-2-amine is CNC(/C(=C(\F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-methyl-2-(trifluoromethyl)pent-3-en-2-amine?
The InChIKey is POWOLTNORVTSCC-IHWYPQMZSA-N. The full InChI is InChI=1S/C10H4F17N/c1-28-5(9(22,23)24,10(25,26)27)2(3(11)6(13,14)15)4(12,7(16,17)18)8(19,20)21/h28H,1H3/b3-2-.
What are the key properties of (E)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-methyl-2-(trifluoromethyl)pent-3-en-2-amine?
(E)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-methyl-2-(trifluoromethyl)pent-3-en-2-amine has a molecular weight of 461.12 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-methyl-2-(trifluoromethyl)pent-3-en-2-amine is sourced from PubChem (CID 134881216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).