1,1-dichlorocyclobutane;hydrofluoride

C4H7Cl2F — CID 174902728

IUPAC1,1-dichlorocyclobutane;hydrofluoride
SMILESClC1(Cl)CCC1.F
InChIInChI=1S/C4H6Cl2.FH/c5-4(6)2-1-3-4;/h1-3H2;1H
InChIKeyKBYDZKRBITYOOK-UHFFFAOYSA-N
MW145.00 g/mol
LogP2.50
Rot. Bonds

About 1,1-dichlorocyclobutane;hydrofluoride

1,1-dichlorocyclobutane;hydrofluoride (PubChem CID 174902728) has the molecular formula C4H7Cl2F and a molecular weight of 145.00 g/mol. Its IUPAC name is 1,1-dichlorocyclobutane;hydrofluoride.

Molecular Properties

Compound Name1,1-dichlorocyclobutane;hydrofluoride
PubChem CID174902728
Molecular FormulaC4H7Cl2F
Molecular Weight145.00 g/mol
Exact Mass143.99
IUPAC Name1,1-dichlorocyclobutane;hydrofluoride
SMILESClC1(Cl)CCC1.F
InChIInChI=1S/C4H6Cl2.FH/c5-4(6)2-1-3-4;/h1-3H2;1H
InChIKeyKBYDZKRBITYOOK-UHFFFAOYSA-N
XLogP2.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.00
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 175162377
1,1,2,2,3,3-hexachlorocyclohexane
CID 22272158
1-chloro-1-methylcyclotridecane
CID 71082065
1,5-dichloro-6,7,8-trioxabicyclo[3.2.1]octane
CID 119096809
2,6-dichloro-2,6-difluorocyclohexane-1,1-diol
CID 18970970
2,2-dichlorocyclopentane-1,1-diamine;platinum
CID 88780620
1-chloro-1,5,5-trimethylcyclotridecane
CID 71162180
2,2-dichlorotetracyclo[4.3.0.01,3.03,6]nonane
CID 86253900
methane;spiro[3.3]heptane
CID 142516352
1-chloro-1-ethynylcyclopropane
CID 12772375

Frequently Asked Questions

What is the IUPAC name of 1,1-dichlorocyclobutane;hydrofluoride?
The IUPAC name of 1,1-dichlorocyclobutane;hydrofluoride (CID 174902728) is 1,1-dichlorocyclobutane;hydrofluoride.
What is the SMILES notation for 1,1-dichlorocyclobutane;hydrofluoride?
The canonical SMILES for 1,1-dichlorocyclobutane;hydrofluoride is ClC1(Cl)CCC1.F.
What is the InChIKey of 1,1-dichlorocyclobutane;hydrofluoride?
The InChIKey is KBYDZKRBITYOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Cl2.FH/c5-4(6)2-1-3-4;/h1-3H2;1H.
What are the key properties of 1,1-dichlorocyclobutane;hydrofluoride?
1,1-dichlorocyclobutane;hydrofluoride has a molecular weight of 145.00 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichlorocyclobutane;hydrofluoride is sourced from PubChem (CID 174902728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).