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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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).