1-chloro-3,3-difluoroprop-1-yne

C3HClF2 — CID 21459291

IUPAC1-chloro-3,3-difluoroprop-1-yne
SMILESFC(F)C#CCl
InChIInChI=1S/C3HClF2/c4-2-1-3(5)6/h3H
InChIKeyMTVIIZLKVURCHQ-UHFFFAOYSA-N
MW110.49 g/mol
LogP1.45
Rot. Bonds

About 1-chloro-3,3-difluoroprop-1-yne

1-chloro-3,3-difluoroprop-1-yne (PubChem CID 21459291) has the molecular formula C3HClF2 and a molecular weight of 110.49 g/mol. Its IUPAC name is 1-chloro-3,3-difluoroprop-1-yne.

Molecular Properties

Compound Name1-chloro-3,3-difluoroprop-1-yne
PubChem CID21459291
Molecular FormulaC3HClF2
Molecular Weight110.49 g/mol
Exact Mass109.97
IUPAC Name1-chloro-3,3-difluoroprop-1-yne
SMILESFC(F)C#CCl
InChIInChI=1S/C3HClF2/c4-2-1-3(5)6/h3H
InChIKeyMTVIIZLKVURCHQ-UHFFFAOYSA-N
XLogP1.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.49
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3,3-difluoroprop-1-yne?
The IUPAC name of 1-chloro-3,3-difluoroprop-1-yne (CID 21459291) is 1-chloro-3,3-difluoroprop-1-yne.
What is the SMILES notation for 1-chloro-3,3-difluoroprop-1-yne?
The canonical SMILES for 1-chloro-3,3-difluoroprop-1-yne is FC(F)C#CCl.
What is the InChIKey of 1-chloro-3,3-difluoroprop-1-yne?
The InChIKey is MTVIIZLKVURCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HClF2/c4-2-1-3(5)6/h3H.
What are the key properties of 1-chloro-3,3-difluoroprop-1-yne?
1-chloro-3,3-difluoroprop-1-yne has a molecular weight of 110.49 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3,3-difluoroprop-1-yne is sourced from PubChem (CID 21459291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).