(2R)-1-chloro-3-fluoropropan-2-ol

C3H6ClFO — CID 6999824

IUPAC(2R)-1-chloro-3-fluoropropan-2-ol
SMILESO[C@H](CF)CCl
InChIInChI=1S/C3H6ClFO/c4-1-3(6)2-5/h3,6H,1-2H2/t3-/m0/s1
InChIKeyZNKJYZHZWALQNX-VKHMYHEASA-N
MW112.53 g/mol
LogP0.56
Rot. Bonds2

About (2R)-1-chloro-3-fluoropropan-2-ol

(2R)-1-chloro-3-fluoropropan-2-ol (PubChem CID 6999824) has the molecular formula C3H6ClFO and a molecular weight of 112.53 g/mol. Its IUPAC name is (2R)-1-chloro-3-fluoropropan-2-ol.

Molecular Properties

Compound Name(2R)-1-chloro-3-fluoropropan-2-ol
PubChem CID6999824
Molecular FormulaC3H6ClFO
Molecular Weight112.53 g/mol
Exact Mass112.01
IUPAC Name(2R)-1-chloro-3-fluoropropan-2-ol
SMILESO[C@H](CF)CCl
InChIInChI=1S/C3H6ClFO/c4-1-3(6)2-5/h3,6H,1-2H2/t3-/m0/s1
InChIKeyZNKJYZHZWALQNX-VKHMYHEASA-N
XLogP0.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.53
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (2R)-1-chloro-3-fluoropropan-2-ol?
The IUPAC name of (2R)-1-chloro-3-fluoropropan-2-ol (CID 6999824) is (2R)-1-chloro-3-fluoropropan-2-ol.
What is the SMILES notation for (2R)-1-chloro-3-fluoropropan-2-ol?
The canonical SMILES for (2R)-1-chloro-3-fluoropropan-2-ol is O[C@H](CF)CCl.
What is the InChIKey of (2R)-1-chloro-3-fluoropropan-2-ol?
The InChIKey is ZNKJYZHZWALQNX-VKHMYHEASA-N. The full InChI is InChI=1S/C3H6ClFO/c4-1-3(6)2-5/h3,6H,1-2H2/t3-/m0/s1.
What are the key properties of (2R)-1-chloro-3-fluoropropan-2-ol?
(2R)-1-chloro-3-fluoropropan-2-ol has a molecular weight of 112.53 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-chloro-3-fluoropropan-2-ol is sourced from PubChem (CID 6999824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).