(Z)-1,1,1,4,4,5,5,5-octafluoro-2-methyl-N-(1,1,2,2,2-pentafluoroethyl)-N-(trifluoromethyl)pent-2-en-3-amine

C9H3F16N — CID 163983716

IUPAC(Z)-1,1,1,4,4,5,5,5-octafluoro-2-methyl-N-(1,1,2,2,2-pentafluoroethyl)-N-(trifluoromethyl)pent-2-en-3-amine
SMILESC/C(=C(/N(C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H3F16N/c1-2(5(12,13)14)3(4(10,11)6(15,16)17)26(9(23,24)25)8(21,22)7(18,19)20/h1H3/b3-2-
InChIKeyTUMHRXVAPSLIRN-IHWYPQMZSA-N
MW429.10 g/mol
LogP6.00
Rot. Bonds3

About (Z)-1,1,1,4,4,5,5,5-octafluoro-2-methyl-N-(1,1,2,2,2-pentafluoroethyl)-N-(trifluoromethyl)pent-2-en-3-amine

(Z)-1,1,1,4,4,5,5,5-octafluoro-2-methyl-N-(1,1,2,2,2-pentafluoroethyl)-N-(trifluoromethyl)pent-2-en-3-amine (PubChem CID 163983716) has the molecular formula C9H3F16N and a molecular weight of 429.10 g/mol. Its IUPAC name is (Z)-1,1,1,4,4,5,5,5-octafluoro-2-methyl-N-(1,1,2,2,2-pentafluoroethyl)-N-(trifluoromethyl)pent-2-en-3-amine.

Molecular Properties

Compound Name(Z)-1,1,1,4,4,5,5,5-octafluoro-2-methyl-N-(1,1,2,2,2-pentafluoroethyl)-N-(trifluoromethyl)pent-2-en-3-amine
PubChem CID163983716
Molecular FormulaC9H3F16N
Molecular Weight429.10 g/mol
Exact Mass429.00
IUPAC Name(Z)-1,1,1,4,4,5,5,5-octafluoro-2-methyl-N-(1,1,2,2,2-pentafluoroethyl)-N-(trifluoromethyl)pent-2-en-3-amine
SMILESC/C(=C(/N(C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H3F16N/c1-2(5(12,13)14)3(4(10,11)6(15,16)17)26(9(23,24)25)8(21,22)7(18,19)20/h1H3/b3-2-
InChIKeyTUMHRXVAPSLIRN-IHWYPQMZSA-N
XLogP6.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.10
LogP ≤ 56.00
H-Bond Donors ≤ 50
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

N,N-Dimethyl-2-(trifluoromethyl)-1,1,1,4,4,5,5,5-octafluoro-2-pentene-3-amine
CID 12751230
1,1,1,4,5,5,5-heptafluoro-N,N-dimethyl-2,4-bis(trifluoromethyl)pent-2-en-3-amine
CID 19761935
N,N-diethyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-amine
CID 19761981
N,N-diethyl-1,1,1-trifluoro-2-(trifluoromethyl)pent-2-en-3-amine
CID 132234556
1,1,1,4,4,5,5,5-octafluoro-N,N,2-tris(trifluoromethyl)pent-2-en-3-amine
CID 147643073
1,1,1,4,4,5,5,5-octafluoro-N-(1,1,2,2,2-pentafluoroethyl)-N,2-bis(trifluoromethyl)pent-2-en-3-amine
CID 148288529
4,4,5,5,5-pentafluoro-N,2-dimethyl-N-(trifluoromethyl)pent-2-en-3-amine
CID 160565376
4,4,5,5,5-pentafluoro-N,2-dimethyl-N-(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine
CID 160565377
2,4,4,5,5,5-hexafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine
CID 160565378
4,4,5,5,5-pentafluoro-2-methyl-N,N-bis(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine
CID 160565381
2,4,4,5,5,5-hexafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)pent-2-en-3-amine
CID 160565383
4,4,5,5,5-pentafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)-2-methylpent-2-en-3-amine
CID 160565387

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1,4,4,5,5,5-octafluoro-2-methyl-N-(1,1,2,2,2-pentafluoroethyl)-N-(trifluoromethyl)pent-2-en-3-amine?
The IUPAC name of (Z)-1,1,1,4,4,5,5,5-octafluoro-2-methyl-N-(1,1,2,2,2-pentafluoroethyl)-N-(trifluoromethyl)pent-2-en-3-amine (CID 163983716) is (Z)-1,1,1,4,4,5,5,5-octafluoro-2-methyl-N-(1,1,2,2,2-pentafluoroethyl)-N-(trifluoromethyl)pent-2-en-3-amine.
What is the SMILES notation for (Z)-1,1,1,4,4,5,5,5-octafluoro-2-methyl-N-(1,1,2,2,2-pentafluoroethyl)-N-(trifluoromethyl)pent-2-en-3-amine?
The canonical SMILES for (Z)-1,1,1,4,4,5,5,5-octafluoro-2-methyl-N-(1,1,2,2,2-pentafluoroethyl)-N-(trifluoromethyl)pent-2-en-3-amine is C/C(=C(/N(C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1,4,4,5,5,5-octafluoro-2-methyl-N-(1,1,2,2,2-pentafluoroethyl)-N-(trifluoromethyl)pent-2-en-3-amine?
The InChIKey is TUMHRXVAPSLIRN-IHWYPQMZSA-N. The full InChI is InChI=1S/C9H3F16N/c1-2(5(12,13)14)3(4(10,11)6(15,16)17)26(9(23,24)25)8(21,22)7(18,19)20/h1H3/b3-2-.
What are the key properties of (Z)-1,1,1,4,4,5,5,5-octafluoro-2-methyl-N-(1,1,2,2,2-pentafluoroethyl)-N-(trifluoromethyl)pent-2-en-3-amine?
(Z)-1,1,1,4,4,5,5,5-octafluoro-2-methyl-N-(1,1,2,2,2-pentafluoroethyl)-N-(trifluoromethyl)pent-2-en-3-amine has a molecular weight of 429.10 g/mol, XLogP of 6.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1,4,4,5,5,5-octafluoro-2-methyl-N-(1,1,2,2,2-pentafluoroethyl)-N-(trifluoromethyl)pent-2-en-3-amine is sourced from PubChem (CID 163983716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).