1-(1-chloro-2,2,3,3-tetrafluoropropyl)-2,4-di(propan-2-yl)benzene

C15H19ClF4 — CID 79660195

IUPAC1-(1-chloro-2,2,3,3-tetrafluoropropyl)-2,4-di(propan-2-yl)benzene
SMILESCC(C)c1ccc(C(Cl)C(F)(F)C(F)F)c(C(C)C)c1
InChIInChI=1S/C15H19ClF4/c1-8(2)10-5-6-11(12(7-10)9(3)4)13(16)15(19,20)14(17)18/h5-9,13-14H,1-4H3
InChIKeyWOLRMGVENABTQV-UHFFFAOYSA-N
MW310.76 g/mol
LogP6.11
Rot. Bonds5

About 1-(1-chloro-2,2,3,3-tetrafluoropropyl)-2,4-di(propan-2-yl)benzene

1-(1-chloro-2,2,3,3-tetrafluoropropyl)-2,4-di(propan-2-yl)benzene (PubChem CID 79660195) has the molecular formula C15H19ClF4 and a molecular weight of 310.76 g/mol. Its IUPAC name is 1-(1-chloro-2,2,3,3-tetrafluoropropyl)-2,4-di(propan-2-yl)benzene.

Molecular Properties

Compound Name1-(1-chloro-2,2,3,3-tetrafluoropropyl)-2,4-di(propan-2-yl)benzene
PubChem CID79660195
Molecular FormulaC15H19ClF4
Molecular Weight310.76 g/mol
Exact Mass310.11
IUPAC Name1-(1-chloro-2,2,3,3-tetrafluoropropyl)-2,4-di(propan-2-yl)benzene
SMILESCC(C)c1ccc(C(Cl)C(F)(F)C(F)F)c(C(C)C)c1
InChIInChI=1S/C15H19ClF4/c1-8(2)10-5-6-11(12(7-10)9(3)4)13(16)15(19,20)14(17)18/h5-9,13-14H,1-4H3
InChIKeyWOLRMGVENABTQV-UHFFFAOYSA-N
XLogP6.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.76
LogP ≤ 56.11
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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Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-2,2,3,3-tetrafluoropropyl)-2,4-di(propan-2-yl)benzene?
The IUPAC name of 1-(1-chloro-2,2,3,3-tetrafluoropropyl)-2,4-di(propan-2-yl)benzene (CID 79660195) is 1-(1-chloro-2,2,3,3-tetrafluoropropyl)-2,4-di(propan-2-yl)benzene.
What is the SMILES notation for 1-(1-chloro-2,2,3,3-tetrafluoropropyl)-2,4-di(propan-2-yl)benzene?
The canonical SMILES for 1-(1-chloro-2,2,3,3-tetrafluoropropyl)-2,4-di(propan-2-yl)benzene is CC(C)c1ccc(C(Cl)C(F)(F)C(F)F)c(C(C)C)c1.
What is the InChIKey of 1-(1-chloro-2,2,3,3-tetrafluoropropyl)-2,4-di(propan-2-yl)benzene?
The InChIKey is WOLRMGVENABTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF4/c1-8(2)10-5-6-11(12(7-10)9(3)4)13(16)15(19,20)14(17)18/h5-9,13-14H,1-4H3.
What are the key properties of 1-(1-chloro-2,2,3,3-tetrafluoropropyl)-2,4-di(propan-2-yl)benzene?
1-(1-chloro-2,2,3,3-tetrafluoropropyl)-2,4-di(propan-2-yl)benzene has a molecular weight of 310.76 g/mol, XLogP of 6.11, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-2,2,3,3-tetrafluoropropyl)-2,4-di(propan-2-yl)benzene is sourced from PubChem (CID 79660195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).