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

C15H17F4NO2 — CID 14436606

IUPAC(Z)-N-benzyl-1,3,3,3-tetrafluoro-2-(oxan-2-yloxy)prop-1-en-1-amine
SMILESF/C(NCc1ccccc1)=C(\OC1CCCCO1)C(F)(F)F
InChIInChI=1S/C15H17F4NO2/c16-14(20-10-11-6-2-1-3-7-11)13(15(17,18)19)22-12-8-4-5-9-21-12/h1-3,6-7,12,20H,4-5,8-10H2/b14-13+
InChIKeyGRIGHCDRQUXBQS-BUHFOSPRSA-N
MW319.30 g/mol
LogP4.02
Rot. Bonds5

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

(Z)-N-benzyl-1,3,3,3-tetrafluoro-2-(oxan-2-yloxy)prop-1-en-1-amine (PubChem CID 14436606) has the molecular formula C15H17F4NO2 and a molecular weight of 319.30 g/mol. Its IUPAC name is (Z)-N-benzyl-1,3,3,3-tetrafluoro-2-(oxan-2-yloxy)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-benzyl-1,3,3,3-tetrafluoro-2-(oxan-2-yloxy)prop-1-en-1-amine
PubChem CID14436606
Molecular FormulaC15H17F4NO2
Molecular Weight319.30 g/mol
Exact Mass319.12
IUPAC Name(Z)-N-benzyl-1,3,3,3-tetrafluoro-2-(oxan-2-yloxy)prop-1-en-1-amine
SMILESF/C(NCc1ccccc1)=C(\OC1CCCCO1)C(F)(F)F
InChIInChI=1S/C15H17F4NO2/c16-14(20-10-11-6-2-1-3-7-11)13(15(17,18)19)22-12-8-4-5-9-21-12/h1-3,6-7,12,20H,4-5,8-10H2/b14-13+
InChIKeyGRIGHCDRQUXBQS-BUHFOSPRSA-N
XLogP4.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.30
LogP ≤ 54.02
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'}

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Related Compounds

N-benzyl-3,3,3-trifluoro-2-(oxan-2-yloxy)prop-1-en-1-imine
CID 14436608
(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
(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
N-benzyl-3-(2,2,2-trifluoroethoxymethoxy)propan-1-amine
CID 106939047
N-[(2,6-difluorophenyl)methyl]-4,4-diethoxybutan-1-amine
CID 121843975
N-[(3,4-difluorophenyl)methyl]-4,4-diethoxybutan-1-amine
CID 121843976
N-[(4-fluoro-3-methylphenyl)methyl]-2-(oxan-2-yloxy)ethanamine
CID 126839477
2-(Benzylaminoethoxy)tetrahydropyran
CID 17908831
N-benzyl-3-(oxan-2-yloxymethyl)but-3-en-1-amine
CID 20089990
N-benzyl-2-(oxan-2-yloxymethyl)but-3-en-1-amine
CID 57013175

Frequently Asked Questions

What is the IUPAC name of (Z)-N-benzyl-1,3,3,3-tetrafluoro-2-(oxan-2-yloxy)prop-1-en-1-amine?
The IUPAC name of (Z)-N-benzyl-1,3,3,3-tetrafluoro-2-(oxan-2-yloxy)prop-1-en-1-amine (CID 14436606) is (Z)-N-benzyl-1,3,3,3-tetrafluoro-2-(oxan-2-yloxy)prop-1-en-1-amine.
What is the SMILES notation for (Z)-N-benzyl-1,3,3,3-tetrafluoro-2-(oxan-2-yloxy)prop-1-en-1-amine?
The canonical SMILES for (Z)-N-benzyl-1,3,3,3-tetrafluoro-2-(oxan-2-yloxy)prop-1-en-1-amine is F/C(NCc1ccccc1)=C(\OC1CCCCO1)C(F)(F)F.
What is the InChIKey of (Z)-N-benzyl-1,3,3,3-tetrafluoro-2-(oxan-2-yloxy)prop-1-en-1-amine?
The InChIKey is GRIGHCDRQUXBQS-BUHFOSPRSA-N. The full InChI is InChI=1S/C15H17F4NO2/c16-14(20-10-11-6-2-1-3-7-11)13(15(17,18)19)22-12-8-4-5-9-21-12/h1-3,6-7,12,20H,4-5,8-10H2/b14-13+.
What are the key properties of (Z)-N-benzyl-1,3,3,3-tetrafluoro-2-(oxan-2-yloxy)prop-1-en-1-amine?
(Z)-N-benzyl-1,3,3,3-tetrafluoro-2-(oxan-2-yloxy)prop-1-en-1-amine has a molecular weight of 319.30 g/mol, XLogP of 4.02, 5 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-(oxan-2-yloxy)prop-1-en-1-amine is sourced from PubChem (CID 14436606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).