1,1,3-trichloro-1,2,2,3,4,4,4-heptafluorobutane

C4Cl3F7 — CID 154303598

IUPAC1,1,3-trichloro-1,2,2,3,4,4,4-heptafluorobutane
SMILESFC(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)Cl
InChIInChI=1S/C4Cl3F7/c5-1(8,4(12,13)14)2(9,10)3(6,7)11
InChIKeyLYHJARQMHHKFKB-UHFFFAOYSA-N
MW287.39 g/mol
LogP4.19
Rot. Bonds2

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

1,1,3-trichloro-1,2,2,3,4,4,4-heptafluorobutane (PubChem CID 154303598) has the molecular formula C4Cl3F7 and a molecular weight of 287.39 g/mol. Its IUPAC name is 1,1,3-trichloro-1,2,2,3,4,4,4-heptafluorobutane.

Molecular Properties

Compound Name1,1,3-trichloro-1,2,2,3,4,4,4-heptafluorobutane
PubChem CID154303598
Molecular FormulaC4Cl3F7
Molecular Weight287.39 g/mol
Exact Mass285.90
IUPAC Name1,1,3-trichloro-1,2,2,3,4,4,4-heptafluorobutane
SMILESFC(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)Cl
InChIInChI=1S/C4Cl3F7/c5-1(8,4(12,13)14)2(9,10)3(6,7)11
InChIKeyLYHJARQMHHKFKB-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 54.19
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-chloro-1,1,2,2,3,3,3-heptafluoropropane;bis(1,1-dichloro-1,2,2,3,3,3-hexafluoropropane)
CID 22412566
dichloro(difluoro)methane;1,1-dichloro-1,2,2,2-tetrafluoroethane
CID 87764597
9-bromo-1,1,3,5,7,10-hexachloro-1,2,2,3,4,4,5,6,6,7,8,8,9,10,10-pentadecafluorodecane
CID 154256396
2-chloro-1,1,1,2,3,3-hexafluorobutane
CID 23262588
1,1-dichloro-1,2,2,2-tetrafluoroethane;1,2-dichloro-1,1,2,2-tetrafluoroethane
CID 76970302
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
1,1-dichloro-4-(4,4-dichloro-1,1,2,2,3,3,4-heptafluorobutoxy)-1,2,2,3,3,4,4-heptafluorobutane
CID 22001044
1,6-dichloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane
CID 2736851
(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 1,1,3-trichloro-1,2,2,3,4,4,4-heptafluorobutane?
The IUPAC name of 1,1,3-trichloro-1,2,2,3,4,4,4-heptafluorobutane (CID 154303598) is 1,1,3-trichloro-1,2,2,3,4,4,4-heptafluorobutane.
What is the SMILES notation for 1,1,3-trichloro-1,2,2,3,4,4,4-heptafluorobutane?
The canonical SMILES for 1,1,3-trichloro-1,2,2,3,4,4,4-heptafluorobutane is FC(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)Cl.
What is the InChIKey of 1,1,3-trichloro-1,2,2,3,4,4,4-heptafluorobutane?
The InChIKey is LYHJARQMHHKFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4Cl3F7/c5-1(8,4(12,13)14)2(9,10)3(6,7)11.
What are the key properties of 1,1,3-trichloro-1,2,2,3,4,4,4-heptafluorobutane?
1,1,3-trichloro-1,2,2,3,4,4,4-heptafluorobutane has a molecular weight of 287.39 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trichloro-1,2,2,3,4,4,4-heptafluorobutane is sourced from PubChem (CID 154303598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).