2-(3,6-dihydro-2H-pyran-4-yl)-4-fluoro-6-prop-1-en-2-ylaniline

C14H16FNO — CID 137499512

IUPAC2-(3,6-dihydro-2H-pyran-4-yl)-4-fluoro-6-prop-1-en-2-ylaniline
SMILESC=C(C)c1cc(F)cc(C2=CCOCC2)c1N
InChIInChI=1S/C14H16FNO/c1-9(2)12-7-11(15)8-13(14(12)16)10-3-5-17-6-4-10/h3,7-8H,1,4-6,16H2,2H3
InChIKeyXTISIVHWIRYWGQ-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.24
Rot. Bonds2

About 2-(3,6-dihydro-2H-pyran-4-yl)-4-fluoro-6-prop-1-en-2-ylaniline

2-(3,6-dihydro-2H-pyran-4-yl)-4-fluoro-6-prop-1-en-2-ylaniline (PubChem CID 137499512) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyran-4-yl)-4-fluoro-6-prop-1-en-2-ylaniline.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyran-4-yl)-4-fluoro-6-prop-1-en-2-ylaniline
PubChem CID137499512
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name2-(3,6-dihydro-2H-pyran-4-yl)-4-fluoro-6-prop-1-en-2-ylaniline
SMILESC=C(C)c1cc(F)cc(C2=CCOCC2)c1N
InChIInChI=1S/C14H16FNO/c1-9(2)12-7-11(15)8-13(14(12)16)10-3-5-17-6-4-10/h3,7-8H,1,4-6,16H2,2H3
InChIKeyXTISIVHWIRYWGQ-UHFFFAOYSA-N
XLogP3.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)-4-fluoro-6-prop-1-en-2-ylaniline?
The IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)-4-fluoro-6-prop-1-en-2-ylaniline (CID 137499512) is 2-(3,6-dihydro-2H-pyran-4-yl)-4-fluoro-6-prop-1-en-2-ylaniline.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyran-4-yl)-4-fluoro-6-prop-1-en-2-ylaniline?
The canonical SMILES for 2-(3,6-dihydro-2H-pyran-4-yl)-4-fluoro-6-prop-1-en-2-ylaniline is C=C(C)c1cc(F)cc(C2=CCOCC2)c1N.
What is the InChIKey of 2-(3,6-dihydro-2H-pyran-4-yl)-4-fluoro-6-prop-1-en-2-ylaniline?
The InChIKey is XTISIVHWIRYWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-9(2)12-7-11(15)8-13(14(12)16)10-3-5-17-6-4-10/h3,7-8H,1,4-6,16H2,2H3.
What are the key properties of 2-(3,6-dihydro-2H-pyran-4-yl)-4-fluoro-6-prop-1-en-2-ylaniline?
2-(3,6-dihydro-2H-pyran-4-yl)-4-fluoro-6-prop-1-en-2-ylaniline has a molecular weight of 233.29 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyran-4-yl)-4-fluoro-6-prop-1-en-2-ylaniline is sourced from PubChem (CID 137499512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).