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

C16H19F4NO2 — CID 134920831

IUPAC(Z)-1,3,3,3-tetrafluoro-2-(oxan-2-yloxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-amine
SMILESC[C@@H](N/C(F)=C(/OC1CCCCO1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C16H19F4NO2/c1-11(12-7-3-2-4-8-12)21-15(17)14(16(18,19)20)23-13-9-5-6-10-22-13/h2-4,7-8,11,13,21H,5-6,9-10H2,1H3/b15-14+/t11-,13?/m1/s1
InChIKeyZHHUGGKBSILDHB-ZAULHCKWSA-N
MW333.32 g/mol
LogP4.58
Rot. Bonds5

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

(Z)-1,3,3,3-tetrafluoro-2-(oxan-2-yloxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-amine (PubChem CID 134920831) has the molecular formula C16H19F4NO2 and a molecular weight of 333.32 g/mol. Its IUPAC name is (Z)-1,3,3,3-tetrafluoro-2-(oxan-2-yloxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1,3,3,3-tetrafluoro-2-(oxan-2-yloxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-amine
PubChem CID134920831
Molecular FormulaC16H19F4NO2
Molecular Weight333.32 g/mol
Exact Mass333.14
IUPAC Name(Z)-1,3,3,3-tetrafluoro-2-(oxan-2-yloxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-amine
SMILESC[C@@H](N/C(F)=C(/OC1CCCCO1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C16H19F4NO2/c1-11(12-7-3-2-4-8-12)21-15(17)14(16(18,19)20)23-13-9-5-6-10-22-13/h2-4,7-8,11,13,21H,5-6,9-10H2,1H3/b15-14+/t11-,13?/m1/s1
InChIKeyZHHUGGKBSILDHB-ZAULHCKWSA-N
XLogP4.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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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-(methoxymethoxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-amine
CID 134920705
(Z)-N-benzyl-1,3,3,3-tetrafluoro-2-(methoxymethoxy)prop-1-en-1-amine
CID 134920915
3,3,3-trifluoro-2-(oxan-2-yloxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-imine
CID 134920916
(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
(2R,3S,4S,6S)-6-ethoxy-4-[[(1R)-1-phenylethyl]amino]-2-(trifluoromethyl)oxan-3-ol
CID 11559036
(2R,3R,4S,6S)-6-ethoxy-4-[[(1R)-1-phenylethyl]amino]-2-(trifluoromethyl)oxan-3-ol
CID 11609666
2-(3,5-difluorophenyl)-N-[2-(oxan-2-yloxy)ethyl]propan-2-amine
CID 173596635
N-(2,2-diethoxyethyl)-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 79538269
3,3-diethoxy-N-[1-(2-fluorophenyl)ethyl]propan-1-amine
CID 81094349
3,3-diethoxy-N-[1-(3-fluorophenyl)ethyl]propan-1-amine
CID 81094494

Frequently Asked Questions

What is the IUPAC name of (Z)-1,3,3,3-tetrafluoro-2-(oxan-2-yloxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-amine?
The IUPAC name of (Z)-1,3,3,3-tetrafluoro-2-(oxan-2-yloxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-amine (CID 134920831) is (Z)-1,3,3,3-tetrafluoro-2-(oxan-2-yloxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-amine.
What is the SMILES notation for (Z)-1,3,3,3-tetrafluoro-2-(oxan-2-yloxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-amine?
The canonical SMILES for (Z)-1,3,3,3-tetrafluoro-2-(oxan-2-yloxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-amine is C[C@@H](N/C(F)=C(/OC1CCCCO1)C(F)(F)F)c1ccccc1.
What is the InChIKey of (Z)-1,3,3,3-tetrafluoro-2-(oxan-2-yloxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-amine?
The InChIKey is ZHHUGGKBSILDHB-ZAULHCKWSA-N. The full InChI is InChI=1S/C16H19F4NO2/c1-11(12-7-3-2-4-8-12)21-15(17)14(16(18,19)20)23-13-9-5-6-10-22-13/h2-4,7-8,11,13,21H,5-6,9-10H2,1H3/b15-14+/t11-,13?/m1/s1.
What are the key properties of (Z)-1,3,3,3-tetrafluoro-2-(oxan-2-yloxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-amine?
(Z)-1,3,3,3-tetrafluoro-2-(oxan-2-yloxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-amine has a molecular weight of 333.32 g/mol, XLogP of 4.58, 5 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-(oxan-2-yloxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-amine is sourced from PubChem (CID 134920831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).