N-ethyl-N-(2,2,3,3-tetrafluoropropyl)aniline

C11H13F4N — CID 12696961

IUPACN-ethyl-N-(2,2,3,3-tetrafluoropropyl)aniline
SMILESCCN(CC(F)(F)C(F)F)c1ccccc1
InChIInChI=1S/C11H13F4N/c1-2-16(8-11(14,15)10(12)13)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChIKeyATJXQTBBEVFLJO-UHFFFAOYSA-N
MW235.22 g/mol
LogP3.41
Rot. Bonds5

About N-ethyl-N-(2,2,3,3-tetrafluoropropyl)aniline

N-ethyl-N-(2,2,3,3-tetrafluoropropyl)aniline (PubChem CID 12696961) has the molecular formula C11H13F4N and a molecular weight of 235.22 g/mol. Its IUPAC name is N-ethyl-N-(2,2,3,3-tetrafluoropropyl)aniline.

Molecular Properties

Compound NameN-ethyl-N-(2,2,3,3-tetrafluoropropyl)aniline
PubChem CID12696961
Molecular FormulaC11H13F4N
Molecular Weight235.22 g/mol
Exact Mass235.10
IUPAC NameN-ethyl-N-(2,2,3,3-tetrafluoropropyl)aniline
SMILESCCN(CC(F)(F)C(F)F)c1ccccc1
InChIInChI=1S/C11H13F4N/c1-2-16(8-11(14,15)10(12)13)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChIKeyATJXQTBBEVFLJO-UHFFFAOYSA-N
XLogP3.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2,2,3,3-tetrafluoropropyl)aniline?
The IUPAC name of N-ethyl-N-(2,2,3,3-tetrafluoropropyl)aniline (CID 12696961) is N-ethyl-N-(2,2,3,3-tetrafluoropropyl)aniline.
What is the SMILES notation for N-ethyl-N-(2,2,3,3-tetrafluoropropyl)aniline?
The canonical SMILES for N-ethyl-N-(2,2,3,3-tetrafluoropropyl)aniline is CCN(CC(F)(F)C(F)F)c1ccccc1.
What is the InChIKey of N-ethyl-N-(2,2,3,3-tetrafluoropropyl)aniline?
The InChIKey is ATJXQTBBEVFLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4N/c1-2-16(8-11(14,15)10(12)13)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3.
What are the key properties of N-ethyl-N-(2,2,3,3-tetrafluoropropyl)aniline?
N-ethyl-N-(2,2,3,3-tetrafluoropropyl)aniline has a molecular weight of 235.22 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2,2,3,3-tetrafluoropropyl)aniline is sourced from PubChem (CID 12696961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).