3-chloro-1-fluoropropan-1-ol

C3H6ClFO — CID 54132168

IUPAC3-chloro-1-fluoropropan-1-ol
SMILESOC(F)CCCl
InChIInChI=1S/C3H6ClFO/c4-2-1-3(5)6/h3,6H,1-2H2
InChIKeyNVDCMJREDAYLMP-UHFFFAOYSA-N
MW112.53 g/mol
LogP0.90
Rot. Bonds2

About 3-chloro-1-fluoropropan-1-ol

3-chloro-1-fluoropropan-1-ol (PubChem CID 54132168) has the molecular formula C3H6ClFO and a molecular weight of 112.53 g/mol. Its IUPAC name is 3-chloro-1-fluoropropan-1-ol.

Molecular Properties

Compound Name3-chloro-1-fluoropropan-1-ol
PubChem CID54132168
Molecular FormulaC3H6ClFO
Molecular Weight112.53 g/mol
Exact Mass112.01
IUPAC Name3-chloro-1-fluoropropan-1-ol
SMILESOC(F)CCCl
InChIInChI=1S/C3H6ClFO/c4-2-1-3(5)6/h3,6H,1-2H2
InChIKeyNVDCMJREDAYLMP-UHFFFAOYSA-N
XLogP0.90
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 ≤ 50.90
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 3-chloro-1-fluoropropan-1-ol?
The IUPAC name of 3-chloro-1-fluoropropan-1-ol (CID 54132168) is 3-chloro-1-fluoropropan-1-ol.
What is the SMILES notation for 3-chloro-1-fluoropropan-1-ol?
The canonical SMILES for 3-chloro-1-fluoropropan-1-ol is OC(F)CCCl.
What is the InChIKey of 3-chloro-1-fluoropropan-1-ol?
The InChIKey is NVDCMJREDAYLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6ClFO/c4-2-1-3(5)6/h3,6H,1-2H2.
What are the key properties of 3-chloro-1-fluoropropan-1-ol?
3-chloro-1-fluoropropan-1-ol has a molecular weight of 112.53 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-fluoropropan-1-ol is sourced from PubChem (CID 54132168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).