(2R)-1-chloro-3-(3-fluoromorpholin-4-yl)propan-2-ol

C7H13ClFNO2 — CID 68585490

IUPAC(2R)-1-chloro-3-(3-fluoromorpholin-4-yl)propan-2-ol
SMILESO[C@@H](CCl)CN1CCOCC1F
InChIInChI=1S/C7H13ClFNO2/c8-3-6(11)4-10-1-2-12-5-7(10)9/h6-7,11H,1-5H2/t6-,7?/m0/s1
InChIKeyPNLQRDYXQGJUEH-PKPIPKONSA-N
MW197.64 g/mol
LogP0.21
Rot. Bonds3

About (2R)-1-chloro-3-(3-fluoromorpholin-4-yl)propan-2-ol

(2R)-1-chloro-3-(3-fluoromorpholin-4-yl)propan-2-ol (PubChem CID 68585490) has the molecular formula C7H13ClFNO2 and a molecular weight of 197.64 g/mol. Its IUPAC name is (2R)-1-chloro-3-(3-fluoromorpholin-4-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-chloro-3-(3-fluoromorpholin-4-yl)propan-2-ol
PubChem CID68585490
Molecular FormulaC7H13ClFNO2
Molecular Weight197.64 g/mol
Exact Mass197.06
IUPAC Name(2R)-1-chloro-3-(3-fluoromorpholin-4-yl)propan-2-ol
SMILESO[C@@H](CCl)CN1CCOCC1F
InChIInChI=1S/C7H13ClFNO2/c8-3-6(11)4-10-1-2-12-5-7(10)9/h6-7,11H,1-5H2/t6-,7?/m0/s1
InChIKeyPNLQRDYXQGJUEH-PKPIPKONSA-N
XLogP0.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.64
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-chloro-3-(3-fluoromorpholin-4-yl)propan-2-ol?
The IUPAC name of (2R)-1-chloro-3-(3-fluoromorpholin-4-yl)propan-2-ol (CID 68585490) is (2R)-1-chloro-3-(3-fluoromorpholin-4-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-chloro-3-(3-fluoromorpholin-4-yl)propan-2-ol?
The canonical SMILES for (2R)-1-chloro-3-(3-fluoromorpholin-4-yl)propan-2-ol is O[C@@H](CCl)CN1CCOCC1F.
What is the InChIKey of (2R)-1-chloro-3-(3-fluoromorpholin-4-yl)propan-2-ol?
The InChIKey is PNLQRDYXQGJUEH-PKPIPKONSA-N. The full InChI is InChI=1S/C7H13ClFNO2/c8-3-6(11)4-10-1-2-12-5-7(10)9/h6-7,11H,1-5H2/t6-,7?/m0/s1.
What are the key properties of (2R)-1-chloro-3-(3-fluoromorpholin-4-yl)propan-2-ol?
(2R)-1-chloro-3-(3-fluoromorpholin-4-yl)propan-2-ol has a molecular weight of 197.64 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-chloro-3-(3-fluoromorpholin-4-yl)propan-2-ol is sourced from PubChem (CID 68585490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).