4-chloro-3-[(2,2,3,3-tetrafluorocyclobutyl)oxymethyl]aniline

C11H10ClF4NO — CID 15766988

IUPAC4-chloro-3-[(2,2,3,3-tetrafluorocyclobutyl)oxymethyl]aniline
SMILESNc1ccc(Cl)c(COC2CC(F)(F)C2(F)F)c1
InChIInChI=1S/C11H10ClF4NO/c12-8-2-1-7(17)3-6(8)5-18-9-4-10(13,14)11(9,15)16/h1-3,9H,4-5,17H2
InChIKeyKSVIMUNNQDWGRA-UHFFFAOYSA-N
MW283.65 g/mol
LogP3.48
Rot. Bonds3

About 4-chloro-3-[(2,2,3,3-tetrafluorocyclobutyl)oxymethyl]aniline

4-chloro-3-[(2,2,3,3-tetrafluorocyclobutyl)oxymethyl]aniline (PubChem CID 15766988) has the molecular formula C11H10ClF4NO and a molecular weight of 283.65 g/mol. Its IUPAC name is 4-chloro-3-[(2,2,3,3-tetrafluorocyclobutyl)oxymethyl]aniline.

Molecular Properties

Compound Name4-chloro-3-[(2,2,3,3-tetrafluorocyclobutyl)oxymethyl]aniline
PubChem CID15766988
Molecular FormulaC11H10ClF4NO
Molecular Weight283.65 g/mol
Exact Mass283.04
IUPAC Name4-chloro-3-[(2,2,3,3-tetrafluorocyclobutyl)oxymethyl]aniline
SMILESNc1ccc(Cl)c(COC2CC(F)(F)C2(F)F)c1
InChIInChI=1S/C11H10ClF4NO/c12-8-2-1-7(17)3-6(8)5-18-9-4-10(13,14)11(9,15)16/h1-3,9H,4-5,17H2
InChIKeyKSVIMUNNQDWGRA-UHFFFAOYSA-N
XLogP3.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.65
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2,2,3,3-tetrafluorocyclobutyl)oxymethyl]aniline?
The IUPAC name of 4-chloro-3-[(2,2,3,3-tetrafluorocyclobutyl)oxymethyl]aniline (CID 15766988) is 4-chloro-3-[(2,2,3,3-tetrafluorocyclobutyl)oxymethyl]aniline.
What is the SMILES notation for 4-chloro-3-[(2,2,3,3-tetrafluorocyclobutyl)oxymethyl]aniline?
The canonical SMILES for 4-chloro-3-[(2,2,3,3-tetrafluorocyclobutyl)oxymethyl]aniline is Nc1ccc(Cl)c(COC2CC(F)(F)C2(F)F)c1.
What is the InChIKey of 4-chloro-3-[(2,2,3,3-tetrafluorocyclobutyl)oxymethyl]aniline?
The InChIKey is KSVIMUNNQDWGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF4NO/c12-8-2-1-7(17)3-6(8)5-18-9-4-10(13,14)11(9,15)16/h1-3,9H,4-5,17H2.
What are the key properties of 4-chloro-3-[(2,2,3,3-tetrafluorocyclobutyl)oxymethyl]aniline?
4-chloro-3-[(2,2,3,3-tetrafluorocyclobutyl)oxymethyl]aniline has a molecular weight of 283.65 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2,2,3,3-tetrafluorocyclobutyl)oxymethyl]aniline is sourced from PubChem (CID 15766988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).