3-(3,4-dihydro-2H-pyran-6-yl)-3-fluorocyclopentan-1-amine

C10H16FNO — CID 102648251

IUPAC3-(3,4-dihydro-2H-pyran-6-yl)-3-fluorocyclopentan-1-amine
SMILESNC1CCC(F)(C2=CCCCO2)C1
InChIInChI=1S/C10H16FNO/c11-10(5-4-8(12)7-10)9-3-1-2-6-13-9/h3,8H,1-2,4-7,12H2
InChIKeyZGKINCFDQCSMTK-UHFFFAOYSA-N
MW185.24 g/mol
LogP1.90
Rot. Bonds1

About 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluorocyclopentan-1-amine

3-(3,4-dihydro-2H-pyran-6-yl)-3-fluorocyclopentan-1-amine (PubChem CID 102648251) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluorocyclopentan-1-amine.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-pyran-6-yl)-3-fluorocyclopentan-1-amine
PubChem CID102648251
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Name3-(3,4-dihydro-2H-pyran-6-yl)-3-fluorocyclopentan-1-amine
SMILESNC1CCC(F)(C2=CCCCO2)C1
InChIInChI=1S/C10H16FNO/c11-10(5-4-8(12)7-10)9-3-1-2-6-13-9/h3,8H,1-2,4-7,12H2
InChIKeyZGKINCFDQCSMTK-UHFFFAOYSA-N
XLogP1.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluorocyclopentan-1-amine?
The IUPAC name of 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluorocyclopentan-1-amine (CID 102648251) is 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluorocyclopentan-1-amine.
What is the SMILES notation for 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluorocyclopentan-1-amine?
The canonical SMILES for 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluorocyclopentan-1-amine is NC1CCC(F)(C2=CCCCO2)C1.
What is the InChIKey of 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluorocyclopentan-1-amine?
The InChIKey is ZGKINCFDQCSMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO/c11-10(5-4-8(12)7-10)9-3-1-2-6-13-9/h3,8H,1-2,4-7,12H2.
What are the key properties of 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluorocyclopentan-1-amine?
3-(3,4-dihydro-2H-pyran-6-yl)-3-fluorocyclopentan-1-amine has a molecular weight of 185.24 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluorocyclopentan-1-amine is sourced from PubChem (CID 102648251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).