2,2,3-trichloro-1,1,1,4,4-pentafluorobutane

C4H2Cl3F5 — CID 18915995

IUPAC2,2,3-trichloro-1,1,1,4,4-pentafluorobutane
SMILESFC(F)C(Cl)C(Cl)(Cl)C(F)(F)F
InChIInChI=1S/C4H2Cl3F5/c5-1(2(8)9)3(6,7)4(10,11)12/h1-2H
InChIKeyPTCRZTQWSWNANM-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.60
Rot. Bonds2

About 2,2,3-trichloro-1,1,1,4,4-pentafluorobutane

2,2,3-trichloro-1,1,1,4,4-pentafluorobutane (PubChem CID 18915995) has the molecular formula C4H2Cl3F5 and a molecular weight of 251.41 g/mol. Its IUPAC name is 2,2,3-trichloro-1,1,1,4,4-pentafluorobutane.

Molecular Properties

Compound Name2,2,3-trichloro-1,1,1,4,4-pentafluorobutane
PubChem CID18915995
Molecular FormulaC4H2Cl3F5
Molecular Weight251.41 g/mol
Exact Mass249.91
IUPAC Name2,2,3-trichloro-1,1,1,4,4-pentafluorobutane
SMILESFC(F)C(Cl)C(Cl)(Cl)C(F)(F)F
InChIInChI=1S/C4H2Cl3F5/c5-1(2(8)9)3(6,7)4(10,11)12/h1-2H
InChIKeyPTCRZTQWSWNANM-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.60
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

chloro(difluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane
CID 88770689
chloro(difluoro)methane;dichloro(difluoro)methane;trichloro(fluoro)methane
CID 19892956
2,3,3,4,4-pentachloro-1,1,1,2-tetrafluorobutane
CID 87308636
1,2-dichloro-1,1,2-trifluoroethane chloride
CID 158973247
1,2,3,4-tetrachloro-1,1,2,4-tetrafluorobutane
CID 57001137
1,2,2-trichloro-1,1,3,3-tetrafluoropropane
CID 23237203
1-chloro-1,1-difluoroethane;chloro(difluoro)methane;dichloro(difluoro)methane
CID 157380637
3,4,4-trichloro-2-(difluoromethyl)-1,1,1,2-tetrafluorobutane
CID 175599639
2-chloro-1,1,1,3,4,4-hexafluoro-2-methylbutane
CID 19781251
(2,2-dichloro-1,3,3,3-tetrafluoropropyl)benzene
CID 14687264
(3S)-1,3-dichloro-1,1,2,3-tetrafluoropropane
CID 102328647
3,4-dichloro-1,1,1,2,2,3,4,5,6,6-decafluorohexane
CID 18916016

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trichloro-1,1,1,4,4-pentafluorobutane?
The IUPAC name of 2,2,3-trichloro-1,1,1,4,4-pentafluorobutane (CID 18915995) is 2,2,3-trichloro-1,1,1,4,4-pentafluorobutane.
What is the SMILES notation for 2,2,3-trichloro-1,1,1,4,4-pentafluorobutane?
The canonical SMILES for 2,2,3-trichloro-1,1,1,4,4-pentafluorobutane is FC(F)C(Cl)C(Cl)(Cl)C(F)(F)F.
What is the InChIKey of 2,2,3-trichloro-1,1,1,4,4-pentafluorobutane?
The InChIKey is PTCRZTQWSWNANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Cl3F5/c5-1(2(8)9)3(6,7)4(10,11)12/h1-2H.
What are the key properties of 2,2,3-trichloro-1,1,1,4,4-pentafluorobutane?
2,2,3-trichloro-1,1,1,4,4-pentafluorobutane has a molecular weight of 251.41 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trichloro-1,1,1,4,4-pentafluorobutane is sourced from PubChem (CID 18915995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).