3-[3-(2,3-dichlorophenyl)-2-fluoro-2-methylpropyl]morpholine

C14H18Cl2FNO — CID 107311248

IUPAC3-[3-(2,3-dichlorophenyl)-2-fluoro-2-methylpropyl]morpholine
SMILESCC(F)(Cc1cccc(Cl)c1Cl)CC1COCCN1
InChIInChI=1S/C14H18Cl2FNO/c1-14(17,8-11-9-19-6-5-18-11)7-10-3-2-4-12(15)13(10)16/h2-4,11,18H,5-9H2,1H3
InChIKeyPHHXVMRHYXNNEB-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.64
Rot. Bonds4

About 3-[3-(2,3-dichlorophenyl)-2-fluoro-2-methylpropyl]morpholine

3-[3-(2,3-dichlorophenyl)-2-fluoro-2-methylpropyl]morpholine (PubChem CID 107311248) has the molecular formula C14H18Cl2FNO and a molecular weight of 306.21 g/mol. Its IUPAC name is 3-[3-(2,3-dichlorophenyl)-2-fluoro-2-methylpropyl]morpholine.

Molecular Properties

Compound Name3-[3-(2,3-dichlorophenyl)-2-fluoro-2-methylpropyl]morpholine
PubChem CID107311248
Molecular FormulaC14H18Cl2FNO
Molecular Weight306.21 g/mol
Exact Mass305.07
IUPAC Name3-[3-(2,3-dichlorophenyl)-2-fluoro-2-methylpropyl]morpholine
SMILESCC(F)(Cc1cccc(Cl)c1Cl)CC1COCCN1
InChIInChI=1S/C14H18Cl2FNO/c1-14(17,8-11-9-19-6-5-18-11)7-10-3-2-4-12(15)13(10)16/h2-4,11,18H,5-9H2,1H3
InChIKeyPHHXVMRHYXNNEB-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,3-dichlorophenyl)methyl]morpholine
CID 82294990
2-(2,6-difluorophenyl)-1-morpholin-3-ylpropan-2-ol
CID 113462063
1-(4-chloro-2-fluorophenyl)-2-methyl-3-morpholin-3-ylpropan-2-ol
CID 114852724
3-[(2-chloro-6-fluorophenyl)methyl]morpholine
CID 82288651
1-bromo-1,1-difluoro-2-methyl-3-morpholin-3-ylpropan-2-ol
CID 107140363
N-[(2,3-dichlorophenyl)methyl]-N-methylmorpholine-3-carboxamide;hydrochloride
CID 119682446
2-(3-chloro-4-methylphenyl)-1-morpholin-3-ylpropan-2-ol
CID 107559679
3,3,3-trifluoro-2-methyl-2-(morpholin-3-ylmethyl)propanoic acid
CID 166703195
3-[2-fluoro-2-methyl-4-(1-methylpyrazol-4-yl)butyl]morpholine
CID 103023218
3-[2-(3-bromo-2,6-difluorophenyl)-2-fluoropropyl]morpholine
CID 106943968
3-(naphthalen-1-ylmethyl)morpholine
CID 66932689
3-[(4-tert-butyl-2-methylphenyl)methyl]morpholine
CID 116927963

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,3-dichlorophenyl)-2-fluoro-2-methylpropyl]morpholine?
The IUPAC name of 3-[3-(2,3-dichlorophenyl)-2-fluoro-2-methylpropyl]morpholine (CID 107311248) is 3-[3-(2,3-dichlorophenyl)-2-fluoro-2-methylpropyl]morpholine.
What is the SMILES notation for 3-[3-(2,3-dichlorophenyl)-2-fluoro-2-methylpropyl]morpholine?
The canonical SMILES for 3-[3-(2,3-dichlorophenyl)-2-fluoro-2-methylpropyl]morpholine is CC(F)(Cc1cccc(Cl)c1Cl)CC1COCCN1.
What is the InChIKey of 3-[3-(2,3-dichlorophenyl)-2-fluoro-2-methylpropyl]morpholine?
The InChIKey is PHHXVMRHYXNNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2FNO/c1-14(17,8-11-9-19-6-5-18-11)7-10-3-2-4-12(15)13(10)16/h2-4,11,18H,5-9H2,1H3.
What are the key properties of 3-[3-(2,3-dichlorophenyl)-2-fluoro-2-methylpropyl]morpholine?
3-[3-(2,3-dichlorophenyl)-2-fluoro-2-methylpropyl]morpholine has a molecular weight of 306.21 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,3-dichlorophenyl)-2-fluoro-2-methylpropyl]morpholine is sourced from PubChem (CID 107311248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).