(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

C11H6F17N — CID 134881266

IUPAC(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
SMILESCCNC(/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/C11H6F17N/c1-2-29-6(10(23,24)25,11(26,27)28)3(4(12)7(14,15)16)5(13,8(17,18)19)9(20,21)22/h29H,2H2,1H3/b4-3-
InChIKeyLBOATGOKDHYWJW-ARJAWSKDSA-N
MW475.14 g/mol
LogP6.08
Rot. Bonds4

About (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

(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 (PubChem CID 134881266) has the molecular formula C11H6F17N and a molecular weight of 475.14 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID134881266
Molecular FormulaC11H6F17N
Molecular Weight475.14 g/mol
Exact Mass475.02
IUPAC Name(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
SMILESCCNC(/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/C11H6F17N/c1-2-29-6(10(23,24)25,11(26,27)28)3(4(12)7(14,15)16)5(13,8(17,18)19)9(20,21)22/h29H,2H2,1H3/b4-3-
InChIKeyLBOATGOKDHYWJW-ARJAWSKDSA-N
XLogP6.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.14
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (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 with MolForge

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Related Compounds

3,4-dimethyl-6,6-bis(trifluoromethyl)-2,5-dihydro-1H-pyridine
CID 23233577
(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
(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)-N-ethyl-1,1,1,2,2,5,6,6,6-nonafluoro-3,4-bis(trifluoromethyl)hex-4-en-3-amine
CID 21732845
6-(Difluoromethyl)-4-methyl-5-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 170613360

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCNC(/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)-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?
The InChIKey is LBOATGOKDHYWJW-ARJAWSKDSA-N. The full InChI is InChI=1S/C11H6F17N/c1-2-29-6(10(23,24)25,11(26,27)28)3(4(12)7(14,15)16)5(13,8(17,18)19)9(20,21)22/h29H,2H2,1H3/b4-3-.
What are the key properties of (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?
(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 has a molecular weight of 475.14 g/mol, XLogP of 6.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 134881266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).