[4-(3-chloro-4-fluorophenyl)morpholin-3-yl]methanol

C11H13ClFNO2 — CID 117009219

IUPAC[4-(3-chloro-4-fluorophenyl)morpholin-3-yl]methanol
SMILESOCC1COCCN1c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H13ClFNO2/c12-10-5-8(1-2-11(10)13)14-3-4-16-7-9(14)6-15/h1-2,5,9,15H,3-4,6-7H2
InChIKeyBPEWEBBOOCTLIZ-UHFFFAOYSA-N
MW245.68 g/mol
LogP1.68
Rot. Bonds2

About [4-(3-chloro-4-fluorophenyl)morpholin-3-yl]methanol

[4-(3-chloro-4-fluorophenyl)morpholin-3-yl]methanol (PubChem CID 117009219) has the molecular formula C11H13ClFNO2 and a molecular weight of 245.68 g/mol. Its IUPAC name is [4-(3-chloro-4-fluorophenyl)morpholin-3-yl]methanol.

Molecular Properties

Compound Name[4-(3-chloro-4-fluorophenyl)morpholin-3-yl]methanol
PubChem CID117009219
Molecular FormulaC11H13ClFNO2
Molecular Weight245.68 g/mol
Exact Mass245.06
IUPAC Name[4-(3-chloro-4-fluorophenyl)morpholin-3-yl]methanol
SMILESOCC1COCCN1c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H13ClFNO2/c12-10-5-8(1-2-11(10)13)14-3-4-16-7-9(14)6-15/h1-2,5,9,15H,3-4,6-7H2
InChIKeyBPEWEBBOOCTLIZ-UHFFFAOYSA-N
XLogP1.68
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-4-fluorophenyl)morpholin-3-yl]methanol?
The IUPAC name of [4-(3-chloro-4-fluorophenyl)morpholin-3-yl]methanol (CID 117009219) is [4-(3-chloro-4-fluorophenyl)morpholin-3-yl]methanol.
What is the SMILES notation for [4-(3-chloro-4-fluorophenyl)morpholin-3-yl]methanol?
The canonical SMILES for [4-(3-chloro-4-fluorophenyl)morpholin-3-yl]methanol is OCC1COCCN1c1ccc(F)c(Cl)c1.
What is the InChIKey of [4-(3-chloro-4-fluorophenyl)morpholin-3-yl]methanol?
The InChIKey is BPEWEBBOOCTLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO2/c12-10-5-8(1-2-11(10)13)14-3-4-16-7-9(14)6-15/h1-2,5,9,15H,3-4,6-7H2.
What are the key properties of [4-(3-chloro-4-fluorophenyl)morpholin-3-yl]methanol?
[4-(3-chloro-4-fluorophenyl)morpholin-3-yl]methanol has a molecular weight of 245.68 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-4-fluorophenyl)morpholin-3-yl]methanol is sourced from PubChem (CID 117009219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).