(2-amino-3-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone

C12H12FNO2 — CID 102648445

IUPAC(2-amino-3-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESNc1c(F)cccc1C(=O)C1=CCCCO1
InChIInChI=1S/C12H12FNO2/c13-9-5-3-4-8(11(9)14)12(15)10-6-1-2-7-16-10/h3-6H,1-2,7,14H2
InChIKeyDYLKMHHEQKHCBY-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.28
Rot. Bonds2

About (2-amino-3-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone

(2-amino-3-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone (PubChem CID 102648445) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is (2-amino-3-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone.

Molecular Properties

Compound Name(2-amino-3-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
PubChem CID102648445
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Name(2-amino-3-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESNc1c(F)cccc1C(=O)C1=CCCCO1
InChIInChI=1S/C12H12FNO2/c13-9-5-3-4-8(11(9)14)12(15)10-6-1-2-7-16-10/h3-6H,1-2,7,14H2
InChIKeyDYLKMHHEQKHCBY-UHFFFAOYSA-N
XLogP2.28
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,3-difluorophenyl)-(2,3-dihydrofuran-5-yl)methanone
CID 102652719
(2-bromo-6-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102647070
(2,5-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102646868
(2-bromo-3-fluorophenyl)-(2,3-dihydrofuran-5-yl)methanone
CID 102652727
(2-amino-3-methoxyphenyl)-(2,3-dihydrofuran-5-yl)methanone
CID 107469137
(2,6-difluorophenyl)-(2,3-dihydrofuran-5-yl)methanone
CID 102651034
(4-aminophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648271
(2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648565
(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648583
(2-amino-3-fluorophenyl)-(4-hydroxyphenyl)methanone
CID 105489005
3,4-dihydro-2H-pyran-6-yl-(2-ethoxyphenyl)methanone
CID 102647006
(2-amino-3-fluorophenyl)-pyrrolidin-1-ylmethanone
CID 62650888

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The IUPAC name of (2-amino-3-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone (CID 102648445) is (2-amino-3-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone.
What is the SMILES notation for (2-amino-3-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The canonical SMILES for (2-amino-3-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone is Nc1c(F)cccc1C(=O)C1=CCCCO1.
What is the InChIKey of (2-amino-3-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The InChIKey is DYLKMHHEQKHCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2/c13-9-5-3-4-8(11(9)14)12(15)10-6-1-2-7-16-10/h3-6H,1-2,7,14H2.
What are the key properties of (2-amino-3-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
(2-amino-3-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone has a molecular weight of 221.23 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone is sourced from PubChem (CID 102648445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).