(Z)-1,3,3,3-tetrafluoro-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-amine

C13H15F4NO2 — CID 134920705

IUPAC(Z)-1,3,3,3-tetrafluoro-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-amine
SMILESCOCO/C(=C(\F)N[C@H](C)c1ccccc1)C(F)(F)F
InChIInChI=1S/C13H15F4NO2/c1-9(10-6-4-3-5-7-10)18-12(14)11(13(15,16)17)20-8-19-2/h3-7,9,18H,8H2,1-2H3/b12-11+/t9-/m1/s1
InChIKeyZKPKMHCFKRGFFT-JFJDQEMCSA-N
MW293.26 g/mol
LogP3.66
Rot. Bonds6

About (Z)-1,3,3,3-tetrafluoro-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-amine

(Z)-1,3,3,3-tetrafluoro-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-amine (PubChem CID 134920705) has the molecular formula C13H15F4NO2 and a molecular weight of 293.26 g/mol. Its IUPAC name is (Z)-1,3,3,3-tetrafluoro-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1,3,3,3-tetrafluoro-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-amine
PubChem CID134920705
Molecular FormulaC13H15F4NO2
Molecular Weight293.26 g/mol
Exact Mass293.10
IUPAC Name(Z)-1,3,3,3-tetrafluoro-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-amine
SMILESCOCO/C(=C(\F)N[C@H](C)c1ccccc1)C(F)(F)F
InChIInChI=1S/C13H15F4NO2/c1-9(10-6-4-3-5-7-10)18-12(14)11(13(15,16)17)20-8-19-2/h3-7,9,18H,8H2,1-2H3/b12-11+/t9-/m1/s1
InChIKeyZKPKMHCFKRGFFT-JFJDQEMCSA-N
XLogP3.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-1,3,3,3-tetrafluoro-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-N-benzyl-1,3,3,3-tetrafluoro-2-(oxan-2-yloxy)prop-1-en-1-amine
CID 14436606
(Z)-1,3,3,3-tetrafluoro-2-(oxan-2-yloxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-amine
CID 134920831
(Z)-N-benzyl-1,3,3,3-tetrafluoro-2-(methoxymethoxy)prop-1-en-1-amine
CID 134920915
3,3,3-trifluoro-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-imine
CID 134986322
(2S)-1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)-N-[(1R)-1-phenylethyl]propan-2-amine
CID 135011393
1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)-N-[(1R)-1-phenylethyl]propan-2-amine
CID 135011394
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 138968689
2,2-dimethoxy-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 89022522
N-benzyl-4-ethoxy-1,1-difluoropent-4-en-2-amine
CID 118458099
(4S)-4-[(4E,6Z,8E)-4-methyl-1,3-dioxonin-6-yl]-2-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]pyrrolidine
CID 142121222
Tert-butyl formate;2-(2,5-difluorophenyl)-4,4-difluoropyrrolidine
CID 174961978
N-[1-(2,6-difluorophenyl)ethyl]-3-ethenoxypropan-1-amine
CID 43207267

Frequently Asked Questions

What is the IUPAC name of (Z)-1,3,3,3-tetrafluoro-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-amine?
The IUPAC name of (Z)-1,3,3,3-tetrafluoro-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-amine (CID 134920705) is (Z)-1,3,3,3-tetrafluoro-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-amine.
What is the SMILES notation for (Z)-1,3,3,3-tetrafluoro-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-amine?
The canonical SMILES for (Z)-1,3,3,3-tetrafluoro-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-amine is COCO/C(=C(\F)N[C@H](C)c1ccccc1)C(F)(F)F.
What is the InChIKey of (Z)-1,3,3,3-tetrafluoro-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-amine?
The InChIKey is ZKPKMHCFKRGFFT-JFJDQEMCSA-N. The full InChI is InChI=1S/C13H15F4NO2/c1-9(10-6-4-3-5-7-10)18-12(14)11(13(15,16)17)20-8-19-2/h3-7,9,18H,8H2,1-2H3/b12-11+/t9-/m1/s1.
What are the key properties of (Z)-1,3,3,3-tetrafluoro-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-amine?
(Z)-1,3,3,3-tetrafluoro-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-amine has a molecular weight of 293.26 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,3,3,3-tetrafluoro-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-amine is sourced from PubChem (CID 134920705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).