4-[(E)-3-[4-(azepan-1-yl)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine

C19H24F4N2O — CID 1301333

IUPAC4-[(E)-3-[4-(azepan-1-yl)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine
SMILESFc1c(F)c(N2CCCCCC2)c(F)c(F)c1/C=C/CN1CCOCC1
InChIInChI=1S/C19H24F4N2O/c20-15-14(6-5-7-24-10-12-26-13-11-24)16(21)18(23)19(17(15)22)25-8-3-1-2-4-9-25/h5-6H,1-4,7-13H2/b6-5+
InChIKeyHLCWDSCDVKKBSJ-AATRIKPKSA-N
MW372.41 g/mol
LogP3.97
Rot. Bonds4

About 4-[(E)-3-[4-(azepan-1-yl)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine

4-[(E)-3-[4-(azepan-1-yl)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine (PubChem CID 1301333) has the molecular formula C19H24F4N2O and a molecular weight of 372.41 g/mol. Its IUPAC name is 4-[(E)-3-[4-(azepan-1-yl)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine.

Molecular Properties

Compound Name4-[(E)-3-[4-(azepan-1-yl)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine
PubChem CID1301333
Molecular FormulaC19H24F4N2O
Molecular Weight372.41 g/mol
Exact Mass372.18
IUPAC Name4-[(E)-3-[4-(azepan-1-yl)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine
SMILESFc1c(F)c(N2CCCCCC2)c(F)c(F)c1/C=C/CN1CCOCC1
InChIInChI=1S/C19H24F4N2O/c20-15-14(6-5-7-24-10-12-26-13-11-24)16(21)18(23)19(17(15)22)25-8-3-1-2-4-9-25/h5-6H,1-4,7-13H2/b6-5+
InChIKeyHLCWDSCDVKKBSJ-AATRIKPKSA-N
XLogP3.97
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 4-[(E)-3-[4-(azepan-1-yl)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine 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

4-[3-(2,3,5,6-tetrafluoro-4-methoxyphenyl)prop-2-enyl]morpholine
CID 2989142
4-[3-(2,3,5,6-tetrafluoro-4-propoxyphenyl)prop-2-enyl]morpholine;hydrochloride
CID 2990923
N-benzyl-2,3,5,6-tetrafluoro-4-(3-morpholin-4-ylprop-1-enyl)aniline
CID 2961470
4-[3-[4-(4-ethoxyphenoxy)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine
CID 2989740
4-[3-[2,3,5,6-tetrafluoro-4-(2-methoxyphenoxy)phenyl]prop-2-enyl]morpholine;hydrochloride
CID 2990449
1-[4-[2,3,5,6-tetrafluoro-4-(3-morpholin-4-ylprop-1-enyl)phenoxy]phenyl]propan-1-one
CID 2985362
4-(6-morpholin-4-ylhexa-2,4-dienyl)morpholine
CID 53425931
4-[(E)-but-2-enyl]morpholine
CID 10909666
pentafluoro-[(E)-3-morpholin-4-ylprop-1-enyl]-λ6-sulfane
CID 132850244
4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline
CID 121451952
1-[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]piperidine
CID 172843480
4-fluoro-2-[(Z)-3-morpholin-4-ylprop-1-enyl]benzenesulfonamide
CID 141431668

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-[4-(azepan-1-yl)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine?
The IUPAC name of 4-[(E)-3-[4-(azepan-1-yl)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine (CID 1301333) is 4-[(E)-3-[4-(azepan-1-yl)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine.
What is the SMILES notation for 4-[(E)-3-[4-(azepan-1-yl)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine?
The canonical SMILES for 4-[(E)-3-[4-(azepan-1-yl)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine is Fc1c(F)c(N2CCCCCC2)c(F)c(F)c1/C=C/CN1CCOCC1.
What is the InChIKey of 4-[(E)-3-[4-(azepan-1-yl)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine?
The InChIKey is HLCWDSCDVKKBSJ-AATRIKPKSA-N. The full InChI is InChI=1S/C19H24F4N2O/c20-15-14(6-5-7-24-10-12-26-13-11-24)16(21)18(23)19(17(15)22)25-8-3-1-2-4-9-25/h5-6H,1-4,7-13H2/b6-5+.
What are the key properties of 4-[(E)-3-[4-(azepan-1-yl)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine?
4-[(E)-3-[4-(azepan-1-yl)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine has a molecular weight of 372.41 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-[4-(azepan-1-yl)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine is sourced from PubChem (CID 1301333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).