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

C11H18FNO — CID 102648239

IUPAC4-(3,4-dihydro-2H-pyran-6-yl)-4-fluorocyclohexan-1-amine
SMILESNC1CCC(F)(C2=CCCCO2)CC1
InChIInChI=1S/C11H18FNO/c12-11(6-4-9(13)5-7-11)10-3-1-2-8-14-10/h3,9H,1-2,4-8,13H2
InChIKeySOKUMSXPUUFSGN-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.29
Rot. Bonds1

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

4-(3,4-dihydro-2H-pyran-6-yl)-4-fluorocyclohexan-1-amine (PubChem CID 102648239) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-pyran-6-yl)-4-fluorocyclohexan-1-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-pyran-6-yl)-4-fluorocyclohexan-1-amine
PubChem CID102648239
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name4-(3,4-dihydro-2H-pyran-6-yl)-4-fluorocyclohexan-1-amine
SMILESNC1CCC(F)(C2=CCCCO2)CC1
InChIInChI=1S/C11H18FNO/c12-11(6-4-9(13)5-7-11)10-3-1-2-8-14-10/h3,9H,1-2,4-8,13H2
InChIKeySOKUMSXPUUFSGN-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

3-(3,4-dihydro-2H-pyran-6-yl)-3-fluorocyclopentan-1-amine
CID 102648251
3-(3,4-dihydro-2H-pyran-6-yl)-3-fluorocyclohexan-1-amine
CID 102648257
4-(2,3-Dihydrofuran-5-yl)-4-fluorocyclohexan-1-amine
CID 102652362
3-(2,3-Dihydrofuran-5-yl)-3-fluorocyclohexan-1-amine
CID 102652380

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-pyran-6-yl)-4-fluorocyclohexan-1-amine?
The IUPAC name of 4-(3,4-dihydro-2H-pyran-6-yl)-4-fluorocyclohexan-1-amine (CID 102648239) is 4-(3,4-dihydro-2H-pyran-6-yl)-4-fluorocyclohexan-1-amine.
What is the SMILES notation for 4-(3,4-dihydro-2H-pyran-6-yl)-4-fluorocyclohexan-1-amine?
The canonical SMILES for 4-(3,4-dihydro-2H-pyran-6-yl)-4-fluorocyclohexan-1-amine is NC1CCC(F)(C2=CCCCO2)CC1.
What is the InChIKey of 4-(3,4-dihydro-2H-pyran-6-yl)-4-fluorocyclohexan-1-amine?
The InChIKey is SOKUMSXPUUFSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO/c12-11(6-4-9(13)5-7-11)10-3-1-2-8-14-10/h3,9H,1-2,4-8,13H2.
What are the key properties of 4-(3,4-dihydro-2H-pyran-6-yl)-4-fluorocyclohexan-1-amine?
4-(3,4-dihydro-2H-pyran-6-yl)-4-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 4-(3,4-dihydro-2H-pyran-6-yl)-4-fluorocyclohexan-1-amine is sourced from PubChem (CID 102648239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).