2-chloro-3-fluoropropan-1-ol

C3H6ClFO — CID 14117405

IUPAC2-chloro-3-fluoropropan-1-ol
SMILESOCC(Cl)CF
InChIInChI=1S/C3H6ClFO/c4-3(1-5)2-6/h3,6H,1-2H2
InChIKeyLTCGVFYSBYYWLO-UHFFFAOYSA-N
MW112.53 g/mol
LogP0.56
Rot. Bonds2

About 2-chloro-3-fluoropropan-1-ol

2-chloro-3-fluoropropan-1-ol (PubChem CID 14117405) has the molecular formula C3H6ClFO and a molecular weight of 112.53 g/mol. Its IUPAC name is 2-chloro-3-fluoropropan-1-ol.

Molecular Properties

Compound Name2-chloro-3-fluoropropan-1-ol
PubChem CID14117405
Molecular FormulaC3H6ClFO
Molecular Weight112.53 g/mol
Exact Mass112.01
IUPAC Name2-chloro-3-fluoropropan-1-ol
SMILESOCC(Cl)CF
InChIInChI=1S/C3H6ClFO/c4-3(1-5)2-6/h3,6H,1-2H2
InChIKeyLTCGVFYSBYYWLO-UHFFFAOYSA-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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Related Compounds

Propylene Chlorohydrin
CID 6566
(S)-(+)-2-Chloro-1-propanol
CID 641045
1-Propanol, 2-chloro-, (2R)-
CID 181530
3-Chloro-2-fluoropropan-1-ol
CID 14117408
2-Chloro-2-fluoroethan-1-ol
CID 18517415
1-Propanol, 2,3-dichloro-2,3-difluoro-
CID 11159512
2,3-Dichloro-2-fluoropropan-1-ol
CID 55300893
2-Chloro-3,3,3-trifluoropropan-1-ol
CID 14767164
2-Chloro-1-fluoroethanol
CID 21616667
1-Chloro-2-fluoroethanol
CID 54051411
3-Chloro-1-fluoropropan-1-ol
CID 54132168
1-Chloro-2-fluoropropan-1-ol
CID 54295327

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoropropan-1-ol?
The IUPAC name of 2-chloro-3-fluoropropan-1-ol (CID 14117405) is 2-chloro-3-fluoropropan-1-ol.
What is the SMILES notation for 2-chloro-3-fluoropropan-1-ol?
The canonical SMILES for 2-chloro-3-fluoropropan-1-ol is OCC(Cl)CF.
What is the InChIKey of 2-chloro-3-fluoropropan-1-ol?
The InChIKey is LTCGVFYSBYYWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6ClFO/c4-3(1-5)2-6/h3,6H,1-2H2.
What are the key properties of 2-chloro-3-fluoropropan-1-ol?
2-chloro-3-fluoropropan-1-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 2-chloro-3-fluoropropan-1-ol is sourced from PubChem (CID 14117405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).