4-[3-[3-chloro-5-(trifluoromethyl)phenyl]propyl]morpholine

C14H17ClF3NO — CID 170869712

IUPAC4-[3-[3-chloro-5-(trifluoromethyl)phenyl]propyl]morpholine
SMILESFC(F)(F)c1cc(Cl)cc(CCCN2CCOCC2)c1
InChIInChI=1S/C14H17ClF3NO/c15-13-9-11(8-12(10-13)14(16,17)18)2-1-3-19-4-6-20-7-5-19/h8-10H,1-7H2
InChIKeyRWXRKSPNHXFROJ-UHFFFAOYSA-N
MW307.74 g/mol
LogP3.62
Rot. Bonds4

About 4-[3-[3-chloro-5-(trifluoromethyl)phenyl]propyl]morpholine

4-[3-[3-chloro-5-(trifluoromethyl)phenyl]propyl]morpholine (PubChem CID 170869712) has the molecular formula C14H17ClF3NO and a molecular weight of 307.74 g/mol. Its IUPAC name is 4-[3-[3-chloro-5-(trifluoromethyl)phenyl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[3-chloro-5-(trifluoromethyl)phenyl]propyl]morpholine
PubChem CID170869712
Molecular FormulaC14H17ClF3NO
Molecular Weight307.74 g/mol
Exact Mass307.10
IUPAC Name4-[3-[3-chloro-5-(trifluoromethyl)phenyl]propyl]morpholine
SMILESFC(F)(F)c1cc(Cl)cc(CCCN2CCOCC2)c1
InChIInChI=1S/C14H17ClF3NO/c15-13-9-11(8-12(10-13)14(16,17)18)2-1-3-19-4-6-20-7-5-19/h8-10H,1-7H2
InChIKeyRWXRKSPNHXFROJ-UHFFFAOYSA-N
XLogP3.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[3-[3-chloro-5-(trifluoromethyl)phenyl]propyl]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-[3-bromo-5-(trifluoromethyl)phenyl]propyl]morpholine
CID 170869742
4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
CID 170870147
4-[3-[2,4-bis(trifluoromethyl)phenyl]propyl]morpholine
CID 170869353
4-[3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]propyl]morpholine
CID 170871315
4-[3-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]propyl]morpholine
CID 170870105
4-[3-[4-bromo-3-(trifluoromethyl)phenyl]propyl]morpholine
CID 170870044
4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine
CID 178059830
1-[2-(3,5-dichlorophenyl)ethyl]-3-(3-morpholin-4-ylpropyl)urea
CID 60593286
4-[3-chloro-5-(trifluoromethyl)phenyl]butanoic acid
CID 117108467
2,6-dibromo-4-(3-morpholin-4-ylpropyl)phenol
CID 170869303
2-morpholin-4-yl-1-[4-[4-[3-(trifluoromethyl)phenyl]butyl]piperazin-1-yl]ethanone
CID 91651791
4-[3-[3-ethoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propyl]morpholine
CID 170870404

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-chloro-5-(trifluoromethyl)phenyl]propyl]morpholine?
The IUPAC name of 4-[3-[3-chloro-5-(trifluoromethyl)phenyl]propyl]morpholine (CID 170869712) is 4-[3-[3-chloro-5-(trifluoromethyl)phenyl]propyl]morpholine.
What is the SMILES notation for 4-[3-[3-chloro-5-(trifluoromethyl)phenyl]propyl]morpholine?
The canonical SMILES for 4-[3-[3-chloro-5-(trifluoromethyl)phenyl]propyl]morpholine is FC(F)(F)c1cc(Cl)cc(CCCN2CCOCC2)c1.
What is the InChIKey of 4-[3-[3-chloro-5-(trifluoromethyl)phenyl]propyl]morpholine?
The InChIKey is RWXRKSPNHXFROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3NO/c15-13-9-11(8-12(10-13)14(16,17)18)2-1-3-19-4-6-20-7-5-19/h8-10H,1-7H2.
What are the key properties of 4-[3-[3-chloro-5-(trifluoromethyl)phenyl]propyl]morpholine?
4-[3-[3-chloro-5-(trifluoromethyl)phenyl]propyl]morpholine has a molecular weight of 307.74 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-chloro-5-(trifluoromethyl)phenyl]propyl]morpholine is sourced from PubChem (CID 170869712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).