N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoro-N-methylethanamine

C9H14F3NO — CID 153410073

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoro-N-methylethanamine
SMILESCN(CC1CCC=CO1)CC(F)(F)F
InChIInChI=1S/C9H14F3NO/c1-13(7-9(10,11)12)6-8-4-2-3-5-14-8/h3,5,8H,2,4,6-7H2,1H3
InChIKeyNTNNZYNAHCBOPH-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.17
Rot. Bonds3

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoro-N-methylethanamine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoro-N-methylethanamine (PubChem CID 153410073) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoro-N-methylethanamine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoro-N-methylethanamine
PubChem CID153410073
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoro-N-methylethanamine
SMILESCN(CC1CCC=CO1)CC(F)(F)F
InChIInChI=1S/C9H14F3NO/c1-13(7-9(10,11)12)6-8-4-2-3-5-14-8/h3,5,8H,2,4,6-7H2,1H3
InChIKeyNTNNZYNAHCBOPH-UHFFFAOYSA-N
XLogP2.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoro-N-methylethanamine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoro-N-methylethanamine (CID 153410073) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoro-N-methylethanamine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoro-N-methylethanamine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoro-N-methylethanamine is CN(CC1CCC=CO1)CC(F)(F)F.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoro-N-methylethanamine?
The InChIKey is NTNNZYNAHCBOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-13(7-9(10,11)12)6-8-4-2-3-5-14-8/h3,5,8H,2,4,6-7H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoro-N-methylethanamine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoro-N-methylethanamine has a molecular weight of 209.21 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 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)-2,2,2-trifluoro-N-methylethanamine is sourced from PubChem (CID 153410073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).