N-(3,4-dihydro-2H-pyran-2-ylmethyl)-5,5,5-trifluoropentan-1-amine

C11H18F3NO — CID 115517329

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-5,5,5-trifluoropentan-1-amine
SMILESFC(F)(F)CCCCNCC1CCC=CO1
InChIInChI=1S/C11H18F3NO/c12-11(13,14)6-2-3-7-15-9-10-5-1-4-8-16-10/h4,8,10,15H,1-3,5-7,9H2
InChIKeyKJOPDOQCGHBXEG-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.00
Rot. Bonds6

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-5,5,5-trifluoropentan-1-amine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-5,5,5-trifluoropentan-1-amine (PubChem CID 115517329) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-5,5,5-trifluoropentan-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-5,5,5-trifluoropentan-1-amine
PubChem CID115517329
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-5,5,5-trifluoropentan-1-amine
SMILESFC(F)(F)CCCCNCC1CCC=CO1
InChIInChI=1S/C11H18F3NO/c12-11(13,14)6-2-3-7-15-9-10-5-1-4-8-16-10/h4,8,10,15H,1-3,5-7,9H2
InChIKeyKJOPDOQCGHBXEG-UHFFFAOYSA-N
XLogP3.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-5,5,5-trifluoropentan-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-5,5,5-trifluoropentan-1-amine (CID 115517329) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-5,5,5-trifluoropentan-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-5,5,5-trifluoropentan-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-5,5,5-trifluoropentan-1-amine is FC(F)(F)CCCCNCC1CCC=CO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-5,5,5-trifluoropentan-1-amine?
The InChIKey is KJOPDOQCGHBXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c12-11(13,14)6-2-3-7-15-9-10-5-1-4-8-16-10/h4,8,10,15H,1-3,5-7,9H2.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-5,5,5-trifluoropentan-1-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-5,5,5-trifluoropentan-1-amine has a molecular weight of 237.26 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-5,5,5-trifluoropentan-1-amine is sourced from PubChem (CID 115517329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).