3-[2-(3-bromo-2,6-difluorophenyl)-2-fluoropropyl]morpholine

C13H15BrF3NO — CID 106943968

IUPAC3-[2-(3-bromo-2,6-difluorophenyl)-2-fluoropropyl]morpholine
SMILESCC(F)(CC1COCCN1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C13H15BrF3NO/c1-13(17,6-8-7-19-5-4-18-8)11-10(15)3-2-9(14)12(11)16/h2-3,8,18H,4-7H2,1H3
InChIKeyUHKMMPMTYUUCRR-UHFFFAOYSA-N
MW338.17 g/mol
LogP3.29
Rot. Bonds3

About 3-[2-(3-bromo-2,6-difluorophenyl)-2-fluoropropyl]morpholine

3-[2-(3-bromo-2,6-difluorophenyl)-2-fluoropropyl]morpholine (PubChem CID 106943968) has the molecular formula C13H15BrF3NO and a molecular weight of 338.17 g/mol. Its IUPAC name is 3-[2-(3-bromo-2,6-difluorophenyl)-2-fluoropropyl]morpholine.

Molecular Properties

Compound Name3-[2-(3-bromo-2,6-difluorophenyl)-2-fluoropropyl]morpholine
PubChem CID106943968
Molecular FormulaC13H15BrF3NO
Molecular Weight338.17 g/mol
Exact Mass337.03
IUPAC Name3-[2-(3-bromo-2,6-difluorophenyl)-2-fluoropropyl]morpholine
SMILESCC(F)(CC1COCCN1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C13H15BrF3NO/c1-13(17,6-8-7-19-5-4-18-8)11-10(15)3-2-9(14)12(11)16/h2-3,8,18H,4-7H2,1H3
InChIKeyUHKMMPMTYUUCRR-UHFFFAOYSA-N
XLogP3.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.17
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-difluorophenyl)-1-morpholin-3-ylpropan-2-ol
CID 113462063
1-bromo-1,1-difluoro-2-methyl-3-morpholin-3-ylpropan-2-ol
CID 107140363
2-(3-bromo-2,6-difluorophenyl)-1-piperidin-2-ylpropan-2-ol
CID 106941489
1-(4-chloro-2-fluorophenyl)-2-methyl-3-morpholin-3-ylpropan-2-ol
CID 114852724
3-[3-(2,3-dichlorophenyl)-2-fluoro-2-methylpropyl]morpholine
CID 107311248
3,3,3-trifluoro-2-methyl-2-(morpholin-3-ylmethyl)propanoic acid
CID 166703195
6-bromo-3-fluoro-2-[(3R)-morpholin-3-yl]phenol
CID 131522958
2-(2-bromophenyl)-2-methyl-N-(morpholin-3-ylmethyl)propan-1-amine
CID 115238227
2-(4-fluorophenyl)-2-methyl-N-(morpholin-3-ylmethyl)propan-1-amine
CID 115238209
3-[(3,4-difluorophenoxy)methyl]morpholine
CID 82288355
3-(3-bromo-2-fluorophenyl)morpholine
CID 83439764
3-[2-(2,6-difluorophenyl)ethyl]morpholine
CID 104704070

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-bromo-2,6-difluorophenyl)-2-fluoropropyl]morpholine?
The IUPAC name of 3-[2-(3-bromo-2,6-difluorophenyl)-2-fluoropropyl]morpholine (CID 106943968) is 3-[2-(3-bromo-2,6-difluorophenyl)-2-fluoropropyl]morpholine.
What is the SMILES notation for 3-[2-(3-bromo-2,6-difluorophenyl)-2-fluoropropyl]morpholine?
The canonical SMILES for 3-[2-(3-bromo-2,6-difluorophenyl)-2-fluoropropyl]morpholine is CC(F)(CC1COCCN1)c1c(F)ccc(Br)c1F.
What is the InChIKey of 3-[2-(3-bromo-2,6-difluorophenyl)-2-fluoropropyl]morpholine?
The InChIKey is UHKMMPMTYUUCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF3NO/c1-13(17,6-8-7-19-5-4-18-8)11-10(15)3-2-9(14)12(11)16/h2-3,8,18H,4-7H2,1H3.
What are the key properties of 3-[2-(3-bromo-2,6-difluorophenyl)-2-fluoropropyl]morpholine?
3-[2-(3-bromo-2,6-difluorophenyl)-2-fluoropropyl]morpholine has a molecular weight of 338.17 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-bromo-2,6-difluorophenyl)-2-fluoropropyl]morpholine is sourced from PubChem (CID 106943968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).