4-[2-(chloromethyl)-4-fluorophenyl]-2-methylmorpholine

C12H15ClFNO — CID 43313500

IUPAC4-[2-(chloromethyl)-4-fluorophenyl]-2-methylmorpholine
SMILESCC1CN(c2ccc(F)cc2CCl)CCO1
InChIInChI=1S/C12H15ClFNO/c1-9-8-15(4-5-16-9)12-3-2-11(14)6-10(12)7-13/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyBXJXLBNITRPSND-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.79
Rot. Bonds2

About 4-[2-(chloromethyl)-4-fluorophenyl]-2-methylmorpholine

4-[2-(chloromethyl)-4-fluorophenyl]-2-methylmorpholine (PubChem CID 43313500) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 4-[2-(chloromethyl)-4-fluorophenyl]-2-methylmorpholine.

Molecular Properties

Compound Name4-[2-(chloromethyl)-4-fluorophenyl]-2-methylmorpholine
PubChem CID43313500
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name4-[2-(chloromethyl)-4-fluorophenyl]-2-methylmorpholine
SMILESCC1CN(c2ccc(F)cc2CCl)CCO1
InChIInChI=1S/C12H15ClFNO/c1-9-8-15(4-5-16-9)12-3-2-11(14)6-10(12)7-13/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyBXJXLBNITRPSND-UHFFFAOYSA-N
XLogP2.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(p-Tolyl)morpholine
CID 766255
2-Fluoro-6-morpholinobenzonitrile
CID 654627
4-(4-Trifluoromethylphenyl)morpholine
CID 10933310
(4-(2,6-Dimethylmorpholin-4-yl)-3-fluorophenyl)methanamine
CID 43122235
5-Fluoro-2-(4-morpholinyl)benzenemethanamine
CID 43313666
4-(4-(Chloromethyl)phenyl)morpholine hydrochloride
CID 132342104
4-[2-[(Z)-3,3,3-trifluoroprop-1-enyl]phenyl]morpholine
CID 139093838
4-[2-(Trifluoromethyl)phenyl]morpholine
CID 90916338
4-m-Tolylmorpholine
CID 1519136
4-(3-(Trifluoromethyl)phenyl)morpholine
CID 15420299
1-[4-(Chloromethyl)phenyl]-4-methoxypiperidine hydrochloride
CID 121552403
1-(5-Fluoro-2-(morpholin-4-yl)phenyl)ethan-1-amine dihydrochloride
CID 165672532

Frequently Asked Questions

What is the IUPAC name of 4-[2-(chloromethyl)-4-fluorophenyl]-2-methylmorpholine?
The IUPAC name of 4-[2-(chloromethyl)-4-fluorophenyl]-2-methylmorpholine (CID 43313500) is 4-[2-(chloromethyl)-4-fluorophenyl]-2-methylmorpholine.
What is the SMILES notation for 4-[2-(chloromethyl)-4-fluorophenyl]-2-methylmorpholine?
The canonical SMILES for 4-[2-(chloromethyl)-4-fluorophenyl]-2-methylmorpholine is CC1CN(c2ccc(F)cc2CCl)CCO1.
What is the InChIKey of 4-[2-(chloromethyl)-4-fluorophenyl]-2-methylmorpholine?
The InChIKey is BXJXLBNITRPSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-9-8-15(4-5-16-9)12-3-2-11(14)6-10(12)7-13/h2-3,6,9H,4-5,7-8H2,1H3.
What are the key properties of 4-[2-(chloromethyl)-4-fluorophenyl]-2-methylmorpholine?
4-[2-(chloromethyl)-4-fluorophenyl]-2-methylmorpholine has a molecular weight of 243.71 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(chloromethyl)-4-fluorophenyl]-2-methylmorpholine is sourced from PubChem (CID 43313500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).