chloromethane;1,1,3,3-tetrafluoroprop-1-ene

C4H5ClF4 — CID 174584065

IUPACchloromethane;1,1,3,3-tetrafluoroprop-1-ene
SMILESCCl.FC(F)=CC(F)F
InChIInChI=1S/C3H2F4.CH3Cl/c4-2(5)1-3(6)7;1-2/h1-2H;1H3
InChIKeyLTYZAUJBIGMBQV-UHFFFAOYSA-N
MW164.53 g/mol
LogP2.89
Rot. Bonds1

About chloromethane;1,1,3,3-tetrafluoroprop-1-ene

chloromethane;1,1,3,3-tetrafluoroprop-1-ene (PubChem CID 174584065) has the molecular formula C4H5ClF4 and a molecular weight of 164.53 g/mol. Its IUPAC name is chloromethane;1,1,3,3-tetrafluoroprop-1-ene.

Molecular Properties

Compound Namechloromethane;1,1,3,3-tetrafluoroprop-1-ene
PubChem CID174584065
Molecular FormulaC4H5ClF4
Molecular Weight164.53 g/mol
Exact Mass164.00
IUPAC Namechloromethane;1,1,3,3-tetrafluoroprop-1-ene
SMILESCCl.FC(F)=CC(F)F
InChIInChI=1S/C3H2F4.CH3Cl/c4-2(5)1-3(6)7;1-2/h1-2H;1H3
InChIKeyLTYZAUJBIGMBQV-UHFFFAOYSA-N
XLogP2.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.53
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze chloromethane;1,1,3,3-tetrafluoroprop-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of chloromethane;1,1,3,3-tetrafluoroprop-1-ene?
The IUPAC name of chloromethane;1,1,3,3-tetrafluoroprop-1-ene (CID 174584065) is chloromethane;1,1,3,3-tetrafluoroprop-1-ene.
What is the SMILES notation for chloromethane;1,1,3,3-tetrafluoroprop-1-ene?
The canonical SMILES for chloromethane;1,1,3,3-tetrafluoroprop-1-ene is CCl.FC(F)=CC(F)F.
What is the InChIKey of chloromethane;1,1,3,3-tetrafluoroprop-1-ene?
The InChIKey is LTYZAUJBIGMBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F4.CH3Cl/c4-2(5)1-3(6)7;1-2/h1-2H;1H3.
What are the key properties of chloromethane;1,1,3,3-tetrafluoroprop-1-ene?
chloromethane;1,1,3,3-tetrafluoroprop-1-ene has a molecular weight of 164.53 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;1,1,3,3-tetrafluoroprop-1-ene is sourced from PubChem (CID 174584065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).