1,1-dichloro-4-fluorobutane

C4H7Cl2F — CID 22321169

IUPAC1,1-dichloro-4-fluorobutane
SMILESFCCCC(Cl)Cl
InChIInChI=1S/C4H7Cl2F/c5-4(6)2-1-3-7/h4H,1-3H2
InChIKeyKVCAAFJCGSNWLD-UHFFFAOYSA-N
MW145.00 g/mol
LogP2.54
Rot. Bonds3

About 1,1-dichloro-4-fluorobutane

1,1-dichloro-4-fluorobutane (PubChem CID 22321169) has the molecular formula C4H7Cl2F and a molecular weight of 145.00 g/mol. Its IUPAC name is 1,1-dichloro-4-fluorobutane.

Molecular Properties

Compound Name1,1-dichloro-4-fluorobutane
PubChem CID22321169
Molecular FormulaC4H7Cl2F
Molecular Weight145.00 g/mol
Exact Mass143.99
IUPAC Name1,1-dichloro-4-fluorobutane
SMILESFCCCC(Cl)Cl
InChIInChI=1S/C4H7Cl2F/c5-4(6)2-1-3-7/h4H,1-3H2
InChIKeyKVCAAFJCGSNWLD-UHFFFAOYSA-N
XLogP2.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.00
LogP ≤ 52.54
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

1,1,6,6-tetrachlorohexane
CID 87407260
1,1-dibromo-4-fluorobutane
CID 54091383
1,2,5-trifluoropentane
CID 87247739
(4S)-7-chloro-1-fluoro-4-iodooctane
CID 138749485
1,5,5-trichloropentan-1-amine
CID 57159022
1,1-dichloropentane;gallane
CID 174452216
CID 170843671
CID 170843671
1,1-dichloro-6-fluorooctane
CID 88501273
1,1-dichloroheptane
CID 13184
2-(3-fluoropropyl)propane-1,3-diol
CID 14985208
1,6-difluoro-3-methylhexane
CID 146258834
CID 76519424
CID 76519424

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-4-fluorobutane?
The IUPAC name of 1,1-dichloro-4-fluorobutane (CID 22321169) is 1,1-dichloro-4-fluorobutane.
What is the SMILES notation for 1,1-dichloro-4-fluorobutane?
The canonical SMILES for 1,1-dichloro-4-fluorobutane is FCCCC(Cl)Cl.
What is the InChIKey of 1,1-dichloro-4-fluorobutane?
The InChIKey is KVCAAFJCGSNWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7Cl2F/c5-4(6)2-1-3-7/h4H,1-3H2.
What are the key properties of 1,1-dichloro-4-fluorobutane?
1,1-dichloro-4-fluorobutane has a molecular weight of 145.00 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-4-fluorobutane is sourced from PubChem (CID 22321169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).