(Z)-1,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)-N,N-bis(trifluoromethyl)prop-1-en-1-amine

C8H3F14NO — CID 118663163

IUPAC(Z)-1,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)-N,N-bis(trifluoromethyl)prop-1-en-1-amine
SMILESF/C(=C(\OCC(F)(F)C(F)F)C(F)(F)F)N(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H3F14NO/c9-3(23(7(17,18)19)8(20,21)22)2(6(14,15)16)24-1-5(12,13)4(10)11/h4H,1H2/b3-2+
InChIKeyFFPCPYHIEPUWJU-NSCUHMNNSA-N
MW395.09 g/mol
LogP4.95
Rot. Bonds5

About (Z)-1,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)-N,N-bis(trifluoromethyl)prop-1-en-1-amine

(Z)-1,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)-N,N-bis(trifluoromethyl)prop-1-en-1-amine (PubChem CID 118663163) has the molecular formula C8H3F14NO and a molecular weight of 395.09 g/mol. Its IUPAC name is (Z)-1,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)-N,N-bis(trifluoromethyl)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)-N,N-bis(trifluoromethyl)prop-1-en-1-amine
PubChem CID118663163
Molecular FormulaC8H3F14NO
Molecular Weight395.09 g/mol
Exact Mass395.00
IUPAC Name(Z)-1,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)-N,N-bis(trifluoromethyl)prop-1-en-1-amine
SMILESF/C(=C(\OCC(F)(F)C(F)F)C(F)(F)F)N(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H3F14NO/c9-3(23(7(17,18)19)8(20,21)22)2(6(14,15)16)24-1-5(12,13)4(10)11/h4H,1H2/b3-2+
InChIKeyFFPCPYHIEPUWJU-NSCUHMNNSA-N
XLogP4.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.09
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)-N,N-bis(trifluoromethyl)prop-1-en-1-amine?
The IUPAC name of (Z)-1,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)-N,N-bis(trifluoromethyl)prop-1-en-1-amine (CID 118663163) is (Z)-1,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)-N,N-bis(trifluoromethyl)prop-1-en-1-amine.
What is the SMILES notation for (Z)-1,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)-N,N-bis(trifluoromethyl)prop-1-en-1-amine?
The canonical SMILES for (Z)-1,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)-N,N-bis(trifluoromethyl)prop-1-en-1-amine is F/C(=C(\OCC(F)(F)C(F)F)C(F)(F)F)N(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (Z)-1,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)-N,N-bis(trifluoromethyl)prop-1-en-1-amine?
The InChIKey is FFPCPYHIEPUWJU-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H3F14NO/c9-3(23(7(17,18)19)8(20,21)22)2(6(14,15)16)24-1-5(12,13)4(10)11/h4H,1H2/b3-2+.
What are the key properties of (Z)-1,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)-N,N-bis(trifluoromethyl)prop-1-en-1-amine?
(Z)-1,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)-N,N-bis(trifluoromethyl)prop-1-en-1-amine has a molecular weight of 395.09 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)-N,N-bis(trifluoromethyl)prop-1-en-1-amine is sourced from PubChem (CID 118663163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).