1-chloro-2-fluoropropan-1-ol

C3H6ClFO — CID 54295327

IUPAC1-chloro-2-fluoropropan-1-ol
SMILESCC(F)C(O)Cl
InChIInChI=1S/C3H6ClFO/c1-2(5)3(4)6/h2-3,6H,1H3
InChIKeyWLGPUNFAGHAGJQ-UHFFFAOYSA-N
MW112.53 g/mol
LogP0.90
Rot. Bonds1

About 1-chloro-2-fluoropropan-1-ol

1-chloro-2-fluoropropan-1-ol (PubChem CID 54295327) has the molecular formula C3H6ClFO and a molecular weight of 112.53 g/mol. Its IUPAC name is 1-chloro-2-fluoropropan-1-ol.

Molecular Properties

Compound Name1-chloro-2-fluoropropan-1-ol
PubChem CID54295327
Molecular FormulaC3H6ClFO
Molecular Weight112.53 g/mol
Exact Mass112.01
IUPAC Name1-chloro-2-fluoropropan-1-ol
SMILESCC(F)C(O)Cl
InChIInChI=1S/C3H6ClFO/c1-2(5)3(4)6/h2-3,6H,1H3
InChIKeyWLGPUNFAGHAGJQ-UHFFFAOYSA-N
XLogP0.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.53
LogP ≤ 50.90
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 1-chloro-2-fluoropropan-1-ol?
The IUPAC name of 1-chloro-2-fluoropropan-1-ol (CID 54295327) is 1-chloro-2-fluoropropan-1-ol.
What is the SMILES notation for 1-chloro-2-fluoropropan-1-ol?
The canonical SMILES for 1-chloro-2-fluoropropan-1-ol is CC(F)C(O)Cl.
What is the InChIKey of 1-chloro-2-fluoropropan-1-ol?
The InChIKey is WLGPUNFAGHAGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6ClFO/c1-2(5)3(4)6/h2-3,6H,1H3.
What are the key properties of 1-chloro-2-fluoropropan-1-ol?
1-chloro-2-fluoropropan-1-ol has a molecular weight of 112.53 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoropropan-1-ol is sourced from PubChem (CID 54295327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).