2-chloro-1,1,1,2,3,3-hexafluorobutane

C4H3ClF6 — CID 23262588

IUPAC2-chloro-1,1,1,2,3,3-hexafluorobutane
SMILESCC(F)(F)C(F)(Cl)C(F)(F)F
InChIInChI=1S/C4H3ClF6/c1-2(6,7)3(5,8)4(9,10)11/h1H3
InChIKeyHINDEQKZHDXOSE-UHFFFAOYSA-N
MW200.51 g/mol
LogP3.11
Rot. Bonds1

About 2-chloro-1,1,1,2,3,3-hexafluorobutane

2-chloro-1,1,1,2,3,3-hexafluorobutane (PubChem CID 23262588) has the molecular formula C4H3ClF6 and a molecular weight of 200.51 g/mol. Its IUPAC name is 2-chloro-1,1,1,2,3,3-hexafluorobutane.

Molecular Properties

Compound Name2-chloro-1,1,1,2,3,3-hexafluorobutane
PubChem CID23262588
Molecular FormulaC4H3ClF6
Molecular Weight200.51 g/mol
Exact Mass199.98
IUPAC Name2-chloro-1,1,1,2,3,3-hexafluorobutane
SMILESCC(F)(F)C(F)(Cl)C(F)(F)F
InChIInChI=1S/C4H3ClF6/c1-2(6,7)3(5,8)4(9,10)11/h1H3
InChIKeyHINDEQKZHDXOSE-UHFFFAOYSA-N
XLogP3.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.51
LogP ≤ 53.11
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

2-chloro-1,1,1,2-tetrafluoropropane;hydrofluoride
CID 160580359
1-chloro-1,1-difluoroethane;hydrate
CID 22410972
1,1,3-trichloro-1,2,2,3,4,4,4-heptafluorobutane
CID 154303598
1-chloro-1,1,2,2,2-pentafluoroethane;ethane
CID 141108517
1-bromo-1-chloro-1-fluoroethane
CID 57450899
4-chloro-1,1,1,2,2,3,3-heptafluoro-4-methylpentane
CID 154321348
chloro(trifluoro)methane;ethane
CID 23131533
1,1,1-trichloro-2,2,2-trifluoroethane
CID 9635
CID 22216068
CID 22216068
2,3,3,4,4-pentachloro-1,1,1,2-tetrafluorobutane
CID 87308636
3,3-dichloro-4,4,4-trifluoro-2-methylbutan-2-ol
CID 13327472
1,1,1-trifluoroethane
CID 91327996

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,1,1,2,3,3-hexafluorobutane?
The IUPAC name of 2-chloro-1,1,1,2,3,3-hexafluorobutane (CID 23262588) is 2-chloro-1,1,1,2,3,3-hexafluorobutane.
What is the SMILES notation for 2-chloro-1,1,1,2,3,3-hexafluorobutane?
The canonical SMILES for 2-chloro-1,1,1,2,3,3-hexafluorobutane is CC(F)(F)C(F)(Cl)C(F)(F)F.
What is the InChIKey of 2-chloro-1,1,1,2,3,3-hexafluorobutane?
The InChIKey is HINDEQKZHDXOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClF6/c1-2(6,7)3(5,8)4(9,10)11/h1H3.
What are the key properties of 2-chloro-1,1,1,2,3,3-hexafluorobutane?
2-chloro-1,1,1,2,3,3-hexafluorobutane has a molecular weight of 200.51 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,1,1,2,3,3-hexafluorobutane is sourced from PubChem (CID 23262588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).