1-(chloromethyl)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene

C10H6ClF7 — CID 20538771

IUPAC1-(chloromethyl)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene
SMILESFC(F)(F)C(F)(c1ccc(CCl)cc1)C(F)(F)F
InChIInChI=1S/C10H6ClF7/c11-5-6-1-3-7(4-2-6)8(12,9(13,14)15)10(16,17)18/h1-4H,5H2
InChIKeyYVFMXVCWQRNPID-UHFFFAOYSA-N
MW294.60 g/mol
LogP4.71
Rot. Bonds2

About 1-(chloromethyl)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene

1-(chloromethyl)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene (PubChem CID 20538771) has the molecular formula C10H6ClF7 and a molecular weight of 294.60 g/mol. Its IUPAC name is 1-(chloromethyl)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene.

Molecular Properties

Compound Name1-(chloromethyl)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene
PubChem CID20538771
Molecular FormulaC10H6ClF7
Molecular Weight294.60 g/mol
Exact Mass294.00
IUPAC Name1-(chloromethyl)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene
SMILESFC(F)(F)C(F)(c1ccc(CCl)cc1)C(F)(F)F
InChIInChI=1S/C10H6ClF7/c11-5-6-1-3-7(4-2-6)8(12,9(13,14)15)10(16,17)18/h1-4H,5H2
InChIKeyYVFMXVCWQRNPID-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.60
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene?
The IUPAC name of 1-(chloromethyl)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene (CID 20538771) is 1-(chloromethyl)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene.
What is the SMILES notation for 1-(chloromethyl)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene?
The canonical SMILES for 1-(chloromethyl)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene is FC(F)(F)C(F)(c1ccc(CCl)cc1)C(F)(F)F.
What is the InChIKey of 1-(chloromethyl)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene?
The InChIKey is YVFMXVCWQRNPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF7/c11-5-6-1-3-7(4-2-6)8(12,9(13,14)15)10(16,17)18/h1-4H,5H2.
What are the key properties of 1-(chloromethyl)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene?
1-(chloromethyl)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene has a molecular weight of 294.60 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene is sourced from PubChem (CID 20538771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).