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

C11H18FNO — CID 102648257

IUPAC3-(3,4-dihydro-2H-pyran-6-yl)-3-fluorocyclohexan-1-amine
SMILESNC1CCCC(F)(C2=CCCCO2)C1
InChIInChI=1S/C11H18FNO/c12-11(6-3-4-9(13)8-11)10-5-1-2-7-14-10/h5,9H,1-4,6-8,13H2
InChIKeyVUWMJDUDWPEUSM-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.29
Rot. Bonds1

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

3-(3,4-dihydro-2H-pyran-6-yl)-3-fluorocyclohexan-1-amine (PubChem CID 102648257) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluorocyclohexan-1-amine.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-pyran-6-yl)-3-fluorocyclohexan-1-amine
PubChem CID102648257
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name3-(3,4-dihydro-2H-pyran-6-yl)-3-fluorocyclohexan-1-amine
SMILESNC1CCCC(F)(C2=CCCCO2)C1
InChIInChI=1S/C11H18FNO/c12-11(6-3-4-9(13)8-11)10-5-1-2-7-14-10/h5,9H,1-4,6-8,13H2
InChIKeyVUWMJDUDWPEUSM-UHFFFAOYSA-N
XLogP2.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dihydro-2H-pyran-6-yl)-4-fluorocyclohexan-1-amine
CID 102648239
(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102649150
4-(2,3-Dihydrofuran-5-yl)-4-fluorocyclohexan-1-amine
CID 102652362
3-(2,3-Dihydrofuran-5-yl)-3-fluorocyclohexan-1-amine
CID 102652380
cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102647140
2-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
CID 102648982

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluorocyclohexan-1-amine?
The IUPAC name of 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluorocyclohexan-1-amine (CID 102648257) is 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluorocyclohexan-1-amine.
What is the SMILES notation for 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluorocyclohexan-1-amine?
The canonical SMILES for 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluorocyclohexan-1-amine is NC1CCCC(F)(C2=CCCCO2)C1.
What is the InChIKey of 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluorocyclohexan-1-amine?
The InChIKey is VUWMJDUDWPEUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO/c12-11(6-3-4-9(13)8-11)10-5-1-2-7-14-10/h5,9H,1-4,6-8,13H2.
What are the key properties of 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluorocyclohexan-1-amine?
3-(3,4-dihydro-2H-pyran-6-yl)-3-fluorocyclohexan-1-amine has a molecular weight of 199.27 g/mol, XLogP of 2.29, 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-fluorocyclohexan-1-amine is sourced from PubChem (CID 102648257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).