4-fluoro-N-(3,3,3-trifluoropropyl)aniline

C9H9F4N — CID 57038239

IUPAC4-fluoro-N-(3,3,3-trifluoropropyl)aniline
SMILESFc1ccc(NCCC(F)(F)F)cc1
InChIInChI=1S/C9H9F4N/c10-7-1-3-8(4-2-7)14-6-5-9(11,12)13/h1-4,14H,5-6H2
InChIKeyDBJLMCBDBDFNEO-UHFFFAOYSA-N
MW207.17 g/mol
LogP3.19
Rot. Bonds3

About 4-fluoro-N-(3,3,3-trifluoropropyl)aniline

4-fluoro-N-(3,3,3-trifluoropropyl)aniline (PubChem CID 57038239) has the molecular formula C9H9F4N and a molecular weight of 207.17 g/mol. Its IUPAC name is 4-fluoro-N-(3,3,3-trifluoropropyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-(3,3,3-trifluoropropyl)aniline
PubChem CID57038239
Molecular FormulaC9H9F4N
Molecular Weight207.17 g/mol
Exact Mass207.07
IUPAC Name4-fluoro-N-(3,3,3-trifluoropropyl)aniline
SMILESFc1ccc(NCCC(F)(F)F)cc1
InChIInChI=1S/C9H9F4N/c10-7-1-3-8(4-2-7)14-6-5-9(11,12)13/h1-4,14H,5-6H2
InChIKeyDBJLMCBDBDFNEO-UHFFFAOYSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.17
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3,3,3-trifluoropropyl)aniline?
The IUPAC name of 4-fluoro-N-(3,3,3-trifluoropropyl)aniline (CID 57038239) is 4-fluoro-N-(3,3,3-trifluoropropyl)aniline.
What is the SMILES notation for 4-fluoro-N-(3,3,3-trifluoropropyl)aniline?
The canonical SMILES for 4-fluoro-N-(3,3,3-trifluoropropyl)aniline is Fc1ccc(NCCC(F)(F)F)cc1.
What is the InChIKey of 4-fluoro-N-(3,3,3-trifluoropropyl)aniline?
The InChIKey is DBJLMCBDBDFNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4N/c10-7-1-3-8(4-2-7)14-6-5-9(11,12)13/h1-4,14H,5-6H2.
What are the key properties of 4-fluoro-N-(3,3,3-trifluoropropyl)aniline?
4-fluoro-N-(3,3,3-trifluoropropyl)aniline has a molecular weight of 207.17 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3,3,3-trifluoropropyl)aniline is sourced from PubChem (CID 57038239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).