4-(3,6-dihydro-2H-pyran-4-yl)-3-fluoroaniline

C11H12FNO — CID 22625755

IUPAC4-(3,6-dihydro-2H-pyran-4-yl)-3-fluoroaniline
SMILESNc1ccc(C2=CCOCC2)c(F)c1
InChIInChI=1S/C11H12FNO/c12-11-7-9(13)1-2-10(11)8-3-5-14-6-4-8/h1-3,7H,4-6,13H2
InChIKeyHYLRLQHGBVOUPX-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.21
Rot. Bonds1

About 4-(3,6-dihydro-2H-pyran-4-yl)-3-fluoroaniline

4-(3,6-dihydro-2H-pyran-4-yl)-3-fluoroaniline (PubChem CID 22625755) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 4-(3,6-dihydro-2H-pyran-4-yl)-3-fluoroaniline.

Molecular Properties

Compound Name4-(3,6-dihydro-2H-pyran-4-yl)-3-fluoroaniline
PubChem CID22625755
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name4-(3,6-dihydro-2H-pyran-4-yl)-3-fluoroaniline
SMILESNc1ccc(C2=CCOCC2)c(F)c1
InChIInChI=1S/C11H12FNO/c12-11-7-9(13)1-2-10(11)8-3-5-14-6-4-8/h1-3,7H,4-6,13H2
InChIKeyHYLRLQHGBVOUPX-UHFFFAOYSA-N
XLogP2.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.21
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 4-(3,6-dihydro-2H-pyran-4-yl)-3-fluoroaniline?
The IUPAC name of 4-(3,6-dihydro-2H-pyran-4-yl)-3-fluoroaniline (CID 22625755) is 4-(3,6-dihydro-2H-pyran-4-yl)-3-fluoroaniline.
What is the SMILES notation for 4-(3,6-dihydro-2H-pyran-4-yl)-3-fluoroaniline?
The canonical SMILES for 4-(3,6-dihydro-2H-pyran-4-yl)-3-fluoroaniline is Nc1ccc(C2=CCOCC2)c(F)c1.
What is the InChIKey of 4-(3,6-dihydro-2H-pyran-4-yl)-3-fluoroaniline?
The InChIKey is HYLRLQHGBVOUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c12-11-7-9(13)1-2-10(11)8-3-5-14-6-4-8/h1-3,7H,4-6,13H2.
What are the key properties of 4-(3,6-dihydro-2H-pyran-4-yl)-3-fluoroaniline?
4-(3,6-dihydro-2H-pyran-4-yl)-3-fluoroaniline has a molecular weight of 193.22 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dihydro-2H-pyran-4-yl)-3-fluoroaniline is sourced from PubChem (CID 22625755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).