(Z)-N-benzyl-1,3,3,3-tetrafluoro-2-(methoxymethoxy)prop-1-en-1-amine

C12H13F4NO2 — CID 134920915

IUPAC(Z)-N-benzyl-1,3,3,3-tetrafluoro-2-(methoxymethoxy)prop-1-en-1-amine
SMILESCOCO/C(=C(\F)NCc1ccccc1)C(F)(F)F
InChIInChI=1S/C12H13F4NO2/c1-18-8-19-10(12(14,15)16)11(13)17-7-9-5-3-2-4-6-9/h2-6,17H,7-8H2,1H3/b11-10+
InChIKeyNANVRUQSPFWKSB-ZHACJKMWSA-N
MW279.23 g/mol
LogP3.10
Rot. Bonds6

About (Z)-N-benzyl-1,3,3,3-tetrafluoro-2-(methoxymethoxy)prop-1-en-1-amine

(Z)-N-benzyl-1,3,3,3-tetrafluoro-2-(methoxymethoxy)prop-1-en-1-amine (PubChem CID 134920915) has the molecular formula C12H13F4NO2 and a molecular weight of 279.23 g/mol. Its IUPAC name is (Z)-N-benzyl-1,3,3,3-tetrafluoro-2-(methoxymethoxy)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-benzyl-1,3,3,3-tetrafluoro-2-(methoxymethoxy)prop-1-en-1-amine
PubChem CID134920915
Molecular FormulaC12H13F4NO2
Molecular Weight279.23 g/mol
Exact Mass279.09
IUPAC Name(Z)-N-benzyl-1,3,3,3-tetrafluoro-2-(methoxymethoxy)prop-1-en-1-amine
SMILESCOCO/C(=C(\F)NCc1ccccc1)C(F)(F)F
InChIInChI=1S/C12H13F4NO2/c1-18-8-19-10(12(14,15)16)11(13)17-7-9-5-3-2-4-6-9/h2-6,17H,7-8H2,1H3/b11-10+
InChIKeyNANVRUQSPFWKSB-ZHACJKMWSA-N
XLogP3.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.23
LogP ≤ 53.10
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)-N-benzyl-1,3,3,3-tetrafluoro-2-(methoxymethoxy)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

2,2-diethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 71521606
N-methyl-N-benzylammonium trifluoroacetate
CID 11276389
(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-(methoxymethoxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-amine
CID 134920705
(Z)-1,3,3,3-tetrafluoro-2-(oxan-2-yloxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-amine
CID 134920831
N-benzyl-3,3,3-trifluoro-2-(methoxymethoxy)prop-1-en-1-imine
CID 134986240
3,3,3-trifluoro-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-imine
CID 134986322
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 138968689
2,2-dimethoxy-N-(4-(trifluoromethyl)benzyl)ethanamine
CID 60657343
N-[(3,4-difluorophenyl)methyl]-2,2-dimethoxyethanamine
CID 60657413
N-[(2,4-difluorophenyl)methyl]-2,2-dimethoxyethanamine
CID 60657419
N-[(2,3-difluorophenyl)methyl]-2,2-dimethoxyethanamine
CID 63669433

Frequently Asked Questions

What is the IUPAC name of (Z)-N-benzyl-1,3,3,3-tetrafluoro-2-(methoxymethoxy)prop-1-en-1-amine?
The IUPAC name of (Z)-N-benzyl-1,3,3,3-tetrafluoro-2-(methoxymethoxy)prop-1-en-1-amine (CID 134920915) is (Z)-N-benzyl-1,3,3,3-tetrafluoro-2-(methoxymethoxy)prop-1-en-1-amine.
What is the SMILES notation for (Z)-N-benzyl-1,3,3,3-tetrafluoro-2-(methoxymethoxy)prop-1-en-1-amine?
The canonical SMILES for (Z)-N-benzyl-1,3,3,3-tetrafluoro-2-(methoxymethoxy)prop-1-en-1-amine is COCO/C(=C(\F)NCc1ccccc1)C(F)(F)F.
What is the InChIKey of (Z)-N-benzyl-1,3,3,3-tetrafluoro-2-(methoxymethoxy)prop-1-en-1-amine?
The InChIKey is NANVRUQSPFWKSB-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H13F4NO2/c1-18-8-19-10(12(14,15)16)11(13)17-7-9-5-3-2-4-6-9/h2-6,17H,7-8H2,1H3/b11-10+.
What are the key properties of (Z)-N-benzyl-1,3,3,3-tetrafluoro-2-(methoxymethoxy)prop-1-en-1-amine?
(Z)-N-benzyl-1,3,3,3-tetrafluoro-2-(methoxymethoxy)prop-1-en-1-amine has a molecular weight of 279.23 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-benzyl-1,3,3,3-tetrafluoro-2-(methoxymethoxy)prop-1-en-1-amine is sourced from PubChem (CID 134920915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).