N,N-diethyl-1,1,3,3,3-pentafluoropropan-1-amine;(Z)-N,N-diethyl-1,3,3,3-tetrafluoroprop-1-en-1-amine

C14H23F9N2 — CID 11964059

IUPACN,N-diethyl-1,1,3,3,3-pentafluoropropan-1-amine;(Z)-N,N-diethyl-1,3,3,3-tetrafluoroprop-1-en-1-amine
SMILESCCN(CC)/C(F)=C/C(F)(F)F.CCN(CC)C(F)(F)CC(F)(F)F
InChIInChI=1S/C7H12F5N.C7H11F4N/c1-3-13(4-2)7(11,12)5-6(8,9)10;1-3-12(4-2)6(8)5-7(9,10)11/h3-5H2,1-2H3;5H,3-4H2,1-2H3/b;6-5+
InChIKeyZSQYCNSYQUHNJX-MXDQRGINSA-N
MW390.33 g/mol
LogP5.57
Rot. Bonds7

About N,N-diethyl-1,1,3,3,3-pentafluoropropan-1-amine;(Z)-N,N-diethyl-1,3,3,3-tetrafluoroprop-1-en-1-amine

N,N-diethyl-1,1,3,3,3-pentafluoropropan-1-amine;(Z)-N,N-diethyl-1,3,3,3-tetrafluoroprop-1-en-1-amine (PubChem CID 11964059) has the molecular formula C14H23F9N2 and a molecular weight of 390.33 g/mol. Its IUPAC name is N,N-diethyl-1,1,3,3,3-pentafluoropropan-1-amine;(Z)-N,N-diethyl-1,3,3,3-tetrafluoroprop-1-en-1-amine.

Molecular Properties

Compound NameN,N-diethyl-1,1,3,3,3-pentafluoropropan-1-amine;(Z)-N,N-diethyl-1,3,3,3-tetrafluoroprop-1-en-1-amine
PubChem CID11964059
Molecular FormulaC14H23F9N2
Molecular Weight390.33 g/mol
Exact Mass390.17
IUPAC NameN,N-diethyl-1,1,3,3,3-pentafluoropropan-1-amine;(Z)-N,N-diethyl-1,3,3,3-tetrafluoroprop-1-en-1-amine
SMILESCCN(CC)/C(F)=C/C(F)(F)F.CCN(CC)C(F)(F)CC(F)(F)F
InChIInChI=1S/C7H12F5N.C7H11F4N/c1-3-13(4-2)7(11,12)5-6(8,9)10;1-3-12(4-2)6(8)5-7(9,10)11/h3-5H2,1-2H3;5H,3-4H2,1-2H3/b;6-5+
InChIKeyZSQYCNSYQUHNJX-MXDQRGINSA-N
XLogP5.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.33
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1,1,3,3,3-pentafluoropropan-1-amine;(Z)-N,N-diethyl-1,3,3,3-tetrafluoroprop-1-en-1-amine?
The IUPAC name of N,N-diethyl-1,1,3,3,3-pentafluoropropan-1-amine;(Z)-N,N-diethyl-1,3,3,3-tetrafluoroprop-1-en-1-amine (CID 11964059) is N,N-diethyl-1,1,3,3,3-pentafluoropropan-1-amine;(Z)-N,N-diethyl-1,3,3,3-tetrafluoroprop-1-en-1-amine.
What is the SMILES notation for N,N-diethyl-1,1,3,3,3-pentafluoropropan-1-amine;(Z)-N,N-diethyl-1,3,3,3-tetrafluoroprop-1-en-1-amine?
The canonical SMILES for N,N-diethyl-1,1,3,3,3-pentafluoropropan-1-amine;(Z)-N,N-diethyl-1,3,3,3-tetrafluoroprop-1-en-1-amine is CCN(CC)/C(F)=C/C(F)(F)F.CCN(CC)C(F)(F)CC(F)(F)F.
What is the InChIKey of N,N-diethyl-1,1,3,3,3-pentafluoropropan-1-amine;(Z)-N,N-diethyl-1,3,3,3-tetrafluoroprop-1-en-1-amine?
The InChIKey is ZSQYCNSYQUHNJX-MXDQRGINSA-N. The full InChI is InChI=1S/C7H12F5N.C7H11F4N/c1-3-13(4-2)7(11,12)5-6(8,9)10;1-3-12(4-2)6(8)5-7(9,10)11/h3-5H2,1-2H3;5H,3-4H2,1-2H3/b;6-5+.
What are the key properties of N,N-diethyl-1,1,3,3,3-pentafluoropropan-1-amine;(Z)-N,N-diethyl-1,3,3,3-tetrafluoroprop-1-en-1-amine?
N,N-diethyl-1,1,3,3,3-pentafluoropropan-1-amine;(Z)-N,N-diethyl-1,3,3,3-tetrafluoroprop-1-en-1-amine has a molecular weight of 390.33 g/mol, XLogP of 5.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,1,3,3,3-pentafluoropropan-1-amine;(Z)-N,N-diethyl-1,3,3,3-tetrafluoroprop-1-en-1-amine is sourced from PubChem (CID 11964059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).