4-chloro-1,1,1,3-tetrafluorobutane

C4H5ClF4 — CID 174723522

IUPAC4-chloro-1,1,1,3-tetrafluorobutane
SMILESFC(CCl)CC(F)(F)F
InChIInChI=1S/C4H5ClF4/c5-2-3(6)1-4(7,8)9/h3H,1-2H2
InChIKeyNSQBSCWVDMSYEK-UHFFFAOYSA-N
MW164.53 g/mol
LogP2.52
Rot. Bonds2

About 4-chloro-1,1,1,3-tetrafluorobutane

4-chloro-1,1,1,3-tetrafluorobutane (PubChem CID 174723522) has the molecular formula C4H5ClF4 and a molecular weight of 164.53 g/mol. Its IUPAC name is 4-chloro-1,1,1,3-tetrafluorobutane.

Molecular Properties

Compound Name4-chloro-1,1,1,3-tetrafluorobutane
PubChem CID174723522
Molecular FormulaC4H5ClF4
Molecular Weight164.53 g/mol
Exact Mass164.00
IUPAC Name4-chloro-1,1,1,3-tetrafluorobutane
SMILESFC(CCl)CC(F)(F)F
InChIInChI=1S/C4H5ClF4/c5-2-3(6)1-4(7,8)9/h3H,1-2H2
InChIKeyNSQBSCWVDMSYEK-UHFFFAOYSA-N
XLogP2.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.53
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,1,1,3-tetrafluorobutane?
The IUPAC name of 4-chloro-1,1,1,3-tetrafluorobutane (CID 174723522) is 4-chloro-1,1,1,3-tetrafluorobutane.
What is the SMILES notation for 4-chloro-1,1,1,3-tetrafluorobutane?
The canonical SMILES for 4-chloro-1,1,1,3-tetrafluorobutane is FC(CCl)CC(F)(F)F.
What is the InChIKey of 4-chloro-1,1,1,3-tetrafluorobutane?
The InChIKey is NSQBSCWVDMSYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClF4/c5-2-3(6)1-4(7,8)9/h3H,1-2H2.
What are the key properties of 4-chloro-1,1,1,3-tetrafluorobutane?
4-chloro-1,1,1,3-tetrafluorobutane has a molecular weight of 164.53 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,1,1,3-tetrafluorobutane is sourced from PubChem (CID 174723522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).