(2S)-4-(3-chloropropyl)-2-(fluoromethyl)morpholine

C8H15ClFNO — CID 141322929

IUPAC(2S)-4-(3-chloropropyl)-2-(fluoromethyl)morpholine
SMILESFC[C@@H]1CN(CCCCl)CCO1
InChIInChI=1S/C8H15ClFNO/c9-2-1-3-11-4-5-12-8(6-10)7-11/h8H,1-7H2/t8-/m1/s1
InChIKeyONRPFRZWCBFBLE-MRVPVSSYSA-N
MW195.66 g/mol
LogP1.29
Rot. Bonds4

About (2S)-4-(3-chloropropyl)-2-(fluoromethyl)morpholine

(2S)-4-(3-chloropropyl)-2-(fluoromethyl)morpholine (PubChem CID 141322929) has the molecular formula C8H15ClFNO and a molecular weight of 195.66 g/mol. Its IUPAC name is (2S)-4-(3-chloropropyl)-2-(fluoromethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-(3-chloropropyl)-2-(fluoromethyl)morpholine
PubChem CID141322929
Molecular FormulaC8H15ClFNO
Molecular Weight195.66 g/mol
Exact Mass195.08
IUPAC Name(2S)-4-(3-chloropropyl)-2-(fluoromethyl)morpholine
SMILESFC[C@@H]1CN(CCCCl)CCO1
InChIInChI=1S/C8H15ClFNO/c9-2-1-3-11-4-5-12-8(6-10)7-11/h8H,1-7H2/t8-/m1/s1
InChIKeyONRPFRZWCBFBLE-MRVPVSSYSA-N
XLogP1.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.66
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(3-chloropropyl)-2-(fluoromethyl)morpholine?
The IUPAC name of (2S)-4-(3-chloropropyl)-2-(fluoromethyl)morpholine (CID 141322929) is (2S)-4-(3-chloropropyl)-2-(fluoromethyl)morpholine.
What is the SMILES notation for (2S)-4-(3-chloropropyl)-2-(fluoromethyl)morpholine?
The canonical SMILES for (2S)-4-(3-chloropropyl)-2-(fluoromethyl)morpholine is FC[C@@H]1CN(CCCCl)CCO1.
What is the InChIKey of (2S)-4-(3-chloropropyl)-2-(fluoromethyl)morpholine?
The InChIKey is ONRPFRZWCBFBLE-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H15ClFNO/c9-2-1-3-11-4-5-12-8(6-10)7-11/h8H,1-7H2/t8-/m1/s1.
What are the key properties of (2S)-4-(3-chloropropyl)-2-(fluoromethyl)morpholine?
(2S)-4-(3-chloropropyl)-2-(fluoromethyl)morpholine has a molecular weight of 195.66 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(3-chloropropyl)-2-(fluoromethyl)morpholine is sourced from PubChem (CID 141322929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).