2-chloro-5-(2-fluoropropan-2-yl)thiophene-3-carbaldehyde

C8H8ClFOS — CID 105459770

IUPAC2-chloro-5-(2-fluoropropan-2-yl)thiophene-3-carbaldehyde
SMILESCC(C)(F)c1cc(C=O)c(Cl)s1
InChIInChI=1S/C8H8ClFOS/c1-8(2,10)6-3-5(4-11)7(9)12-6/h3-4H,1-2H3
InChIKeyNYEYGRNHHXDESD-UHFFFAOYSA-N
MW206.67 g/mol
LogP3.42
Rot. Bonds2

About 2-chloro-5-(2-fluoropropan-2-yl)thiophene-3-carbaldehyde

2-chloro-5-(2-fluoropropan-2-yl)thiophene-3-carbaldehyde (PubChem CID 105459770) has the molecular formula C8H8ClFOS and a molecular weight of 206.67 g/mol. Its IUPAC name is 2-chloro-5-(2-fluoropropan-2-yl)thiophene-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-5-(2-fluoropropan-2-yl)thiophene-3-carbaldehyde
PubChem CID105459770
Molecular FormulaC8H8ClFOS
Molecular Weight206.67 g/mol
Exact Mass206.00
IUPAC Name2-chloro-5-(2-fluoropropan-2-yl)thiophene-3-carbaldehyde
SMILESCC(C)(F)c1cc(C=O)c(Cl)s1
InChIInChI=1S/C8H8ClFOS/c1-8(2,10)6-3-5(4-11)7(9)12-6/h3-4H,1-2H3
InChIKeyNYEYGRNHHXDESD-UHFFFAOYSA-N
XLogP3.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.67
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-fluoropropan-2-yl)thiophene-3-carbaldehyde?
The IUPAC name of 2-chloro-5-(2-fluoropropan-2-yl)thiophene-3-carbaldehyde (CID 105459770) is 2-chloro-5-(2-fluoropropan-2-yl)thiophene-3-carbaldehyde.
What is the SMILES notation for 2-chloro-5-(2-fluoropropan-2-yl)thiophene-3-carbaldehyde?
The canonical SMILES for 2-chloro-5-(2-fluoropropan-2-yl)thiophene-3-carbaldehyde is CC(C)(F)c1cc(C=O)c(Cl)s1.
What is the InChIKey of 2-chloro-5-(2-fluoropropan-2-yl)thiophene-3-carbaldehyde?
The InChIKey is NYEYGRNHHXDESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFOS/c1-8(2,10)6-3-5(4-11)7(9)12-6/h3-4H,1-2H3.
What are the key properties of 2-chloro-5-(2-fluoropropan-2-yl)thiophene-3-carbaldehyde?
2-chloro-5-(2-fluoropropan-2-yl)thiophene-3-carbaldehyde has a molecular weight of 206.67 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-fluoropropan-2-yl)thiophene-3-carbaldehyde is sourced from PubChem (CID 105459770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).