1-chloro-1,1,2,2,2-pentafluoroethane;ethane

C4H6ClF5 — CID 141108517

IUPAC1-chloro-1,1,2,2,2-pentafluoroethane;ethane
SMILESCC.FC(F)(F)C(F)(F)Cl
InChIInChI=1S/C2ClF5.C2H6/c3-1(4,5)2(6,7)8;1-2/h;1-2H3
InChIKeyMBGIGTSOZDWJCM-UHFFFAOYSA-N
MW184.53 g/mol
LogP3.41
Rot. Bonds

About 1-chloro-1,1,2,2,2-pentafluoroethane;ethane

1-chloro-1,1,2,2,2-pentafluoroethane;ethane (PubChem CID 141108517) has the molecular formula C4H6ClF5 and a molecular weight of 184.53 g/mol. Its IUPAC name is 1-chloro-1,1,2,2,2-pentafluoroethane;ethane.

Molecular Properties

Compound Name1-chloro-1,1,2,2,2-pentafluoroethane;ethane
PubChem CID141108517
Molecular FormulaC4H6ClF5
Molecular Weight184.53 g/mol
Exact Mass184.01
IUPAC Name1-chloro-1,1,2,2,2-pentafluoroethane;ethane
SMILESCC.FC(F)(F)C(F)(F)Cl
InChIInChI=1S/C2ClF5.C2H6/c3-1(4,5)2(6,7)8;1-2/h;1-2H3
InChIKeyMBGIGTSOZDWJCM-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.53
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

chloro(trifluoro)methane;ethane
CID 23131533
chloro(fluoro)methane;1-chloro-1,1,2,2,2-pentafluoroethane
CID 157372946
1,2-dichloro-1,1,2,2-tetrafluoroethane
CID 6429
1,1-dichloro-1,2,2,2-tetrafluoroethane;1,2-dichloro-1,1,2,2-tetrafluoroethane
CID 76970302
1,1,1,2-tetrachloro-2,2-difluoroethane
CID 6426
1,1,1-trichloro-2,2,2-trifluoroethane
CID 9635
2-chloro-1,1,1,2-tetrafluoropropane;hydrofluoride
CID 160580359
dichloro(difluoro)methane;1,1-dichloro-1,2,2,2-tetrafluoroethane
CID 87764597
1,6-dichloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane
CID 2736851
1-chloro-1,1-difluoroethane;hydrate
CID 22410972
(2S,3S)-1,2,3,4-tetrachloro-1,1,2,3,4,4-hexafluorobutane
CID 98047490
2,3-dichloro-1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane
CID 154106532

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1,1,2,2,2-pentafluoroethane;ethane?
The IUPAC name of 1-chloro-1,1,2,2,2-pentafluoroethane;ethane (CID 141108517) is 1-chloro-1,1,2,2,2-pentafluoroethane;ethane.
What is the SMILES notation for 1-chloro-1,1,2,2,2-pentafluoroethane;ethane?
The canonical SMILES for 1-chloro-1,1,2,2,2-pentafluoroethane;ethane is CC.FC(F)(F)C(F)(F)Cl.
What is the InChIKey of 1-chloro-1,1,2,2,2-pentafluoroethane;ethane?
The InChIKey is MBGIGTSOZDWJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2ClF5.C2H6/c3-1(4,5)2(6,7)8;1-2/h;1-2H3.
What are the key properties of 1-chloro-1,1,2,2,2-pentafluoroethane;ethane?
1-chloro-1,1,2,2,2-pentafluoroethane;ethane has a molecular weight of 184.53 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,1,2,2,2-pentafluoroethane;ethane is sourced from PubChem (CID 141108517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).