4-(3,4-dihydro-2H-pyran-4-yl)-3,5-difluoroaniline

C11H11F2NO — CID 18005340

IUPAC4-(3,4-dihydro-2H-pyran-4-yl)-3,5-difluoroaniline
SMILESNc1cc(F)c(C2C=COCC2)c(F)c1
InChIInChI=1S/C11H11F2NO/c12-9-5-8(14)6-10(13)11(9)7-1-3-15-4-2-7/h1,3,5-7H,2,4,14H2
InChIKeySYPNEVAGONUIIR-UHFFFAOYSA-N
MW211.21 g/mol
LogP2.56
Rot. Bonds1

About 4-(3,4-dihydro-2H-pyran-4-yl)-3,5-difluoroaniline

4-(3,4-dihydro-2H-pyran-4-yl)-3,5-difluoroaniline (PubChem CID 18005340) has the molecular formula C11H11F2NO and a molecular weight of 211.21 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-pyran-4-yl)-3,5-difluoroaniline.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-pyran-4-yl)-3,5-difluoroaniline
PubChem CID18005340
Molecular FormulaC11H11F2NO
Molecular Weight211.21 g/mol
Exact Mass211.08
IUPAC Name4-(3,4-dihydro-2H-pyran-4-yl)-3,5-difluoroaniline
SMILESNc1cc(F)c(C2C=COCC2)c(F)c1
InChIInChI=1S/C11H11F2NO/c12-9-5-8(14)6-10(13)11(9)7-1-3-15-4-2-7/h1,3,5-7H,2,4,14H2
InChIKeySYPNEVAGONUIIR-UHFFFAOYSA-N
XLogP2.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 52.56
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-(3,4-dihydro-2H-pyran-4-yl)-3,5-difluoroaniline?
The IUPAC name of 4-(3,4-dihydro-2H-pyran-4-yl)-3,5-difluoroaniline (CID 18005340) is 4-(3,4-dihydro-2H-pyran-4-yl)-3,5-difluoroaniline.
What is the SMILES notation for 4-(3,4-dihydro-2H-pyran-4-yl)-3,5-difluoroaniline?
The canonical SMILES for 4-(3,4-dihydro-2H-pyran-4-yl)-3,5-difluoroaniline is Nc1cc(F)c(C2C=COCC2)c(F)c1.
What is the InChIKey of 4-(3,4-dihydro-2H-pyran-4-yl)-3,5-difluoroaniline?
The InChIKey is SYPNEVAGONUIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO/c12-9-5-8(14)6-10(13)11(9)7-1-3-15-4-2-7/h1,3,5-7H,2,4,14H2.
What are the key properties of 4-(3,4-dihydro-2H-pyran-4-yl)-3,5-difluoroaniline?
4-(3,4-dihydro-2H-pyran-4-yl)-3,5-difluoroaniline has a molecular weight of 211.21 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-pyran-4-yl)-3,5-difluoroaniline is sourced from PubChem (CID 18005340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).