1,3-dichloro-1,1,3-trifluoropropane;3,3-dichloro-1,1,1-trifluoropropane

C6H6Cl4F6 — CID 159624580

IUPAC1,3-dichloro-1,1,3-trifluoropropane;3,3-dichloro-1,1,1-trifluoropropane
SMILESFC(Cl)CC(F)(F)Cl.FC(F)(F)CC(Cl)Cl
InChIInChI=1S/2C3H3Cl2F3/c4-2(6)1-3(5,7)8;4-2(5)1-3(6,7)8/h2*2H,1H2
InChIKeyMOIAEKHOTIHGLP-UHFFFAOYSA-N
MW333.91 g/mol
LogP5.49
Rot. Bonds3

About 1,3-dichloro-1,1,3-trifluoropropane;3,3-dichloro-1,1,1-trifluoropropane

1,3-dichloro-1,1,3-trifluoropropane;3,3-dichloro-1,1,1-trifluoropropane (PubChem CID 159624580) has the molecular formula C6H6Cl4F6 and a molecular weight of 333.91 g/mol. Its IUPAC name is 1,3-dichloro-1,1,3-trifluoropropane;3,3-dichloro-1,1,1-trifluoropropane.

Molecular Properties

Compound Name1,3-dichloro-1,1,3-trifluoropropane;3,3-dichloro-1,1,1-trifluoropropane
PubChem CID159624580
Molecular FormulaC6H6Cl4F6
Molecular Weight333.91 g/mol
Exact Mass331.91
IUPAC Name1,3-dichloro-1,1,3-trifluoropropane;3,3-dichloro-1,1,1-trifluoropropane
SMILESFC(Cl)CC(F)(F)Cl.FC(F)(F)CC(Cl)Cl
InChIInChI=1S/2C3H3Cl2F3/c4-2(6)1-3(5,7)8;4-2(5)1-3(6,7)8/h2*2H,1H2
InChIKeyMOIAEKHOTIHGLP-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.91
LogP ≤ 55.49
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

1,1,3-trichloro-1,3-difluoropropane
CID 23295392
2-chloro-1,1,1-trifluoroethane;1,2-dichloro-1-fluoroethane
CID 157357085
3-bromo-3-chloro-1,1,1-trifluoropropane
CID 18356503
4-chloro-1,1,1,3-tetrafluorobutane
CID 174723522
2,4-dichloro-4,4-difluorobutanoic acid
CID 131101651
(E)-1,2-dichloroethene;1,1,1,3,3-pentafluoropropane
CID 90282303
chloro(difluoro)methane;dichloro(difluoro)methane;trichloro(fluoro)methane
CID 19892956
1,1,3,3-tetrachlorobutane
CID 642174
2-chloro-4,4,4-trifluorobutanenitrile
CID 102600003
1,3,3,3-tetrafluoropropan-1-ol;hydrate
CID 153370161
1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropyldisulfanyl)propane
CID 88585021
chloro(difluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane
CID 88770689

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-1,1,3-trifluoropropane;3,3-dichloro-1,1,1-trifluoropropane?
The IUPAC name of 1,3-dichloro-1,1,3-trifluoropropane;3,3-dichloro-1,1,1-trifluoropropane (CID 159624580) is 1,3-dichloro-1,1,3-trifluoropropane;3,3-dichloro-1,1,1-trifluoropropane.
What is the SMILES notation for 1,3-dichloro-1,1,3-trifluoropropane;3,3-dichloro-1,1,1-trifluoropropane?
The canonical SMILES for 1,3-dichloro-1,1,3-trifluoropropane;3,3-dichloro-1,1,1-trifluoropropane is FC(Cl)CC(F)(F)Cl.FC(F)(F)CC(Cl)Cl.
What is the InChIKey of 1,3-dichloro-1,1,3-trifluoropropane;3,3-dichloro-1,1,1-trifluoropropane?
The InChIKey is MOIAEKHOTIHGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H3Cl2F3/c4-2(6)1-3(5,7)8;4-2(5)1-3(6,7)8/h2*2H,1H2.
What are the key properties of 1,3-dichloro-1,1,3-trifluoropropane;3,3-dichloro-1,1,1-trifluoropropane?
1,3-dichloro-1,1,3-trifluoropropane;3,3-dichloro-1,1,1-trifluoropropane has a molecular weight of 333.91 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-1,1,3-trifluoropropane;3,3-dichloro-1,1,1-trifluoropropane is sourced from PubChem (CID 159624580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).