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

C9H13F4NO — CID 107095609

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,3,3-tetrafluoropropan-1-amine
SMILESFC(F)C(F)(F)CNCC1CCC=CO1
InChIInChI=1S/C9H13F4NO/c10-8(11)9(12,13)6-14-5-7-3-1-2-4-15-7/h2,4,7-8,14H,1,3,5-6H2
InChIKeyJGXKQHCAAXZFNG-UHFFFAOYSA-N
MW227.20 g/mol
LogP2.17
Rot. Bonds5

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

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,3,3-tetrafluoropropan-1-amine (PubChem CID 107095609) has the molecular formula C9H13F4NO and a molecular weight of 227.20 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,3,3-tetrafluoropropan-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,3,3-tetrafluoropropan-1-amine
PubChem CID107095609
Molecular FormulaC9H13F4NO
Molecular Weight227.20 g/mol
Exact Mass227.09
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,3,3-tetrafluoropropan-1-amine
SMILESFC(F)C(F)(F)CNCC1CCC=CO1
InChIInChI=1S/C9H13F4NO/c10-8(11)9(12,13)6-14-5-7-3-1-2-4-15-7/h2,4,7-8,14H,1,3,5-6H2
InChIKeyJGXKQHCAAXZFNG-UHFFFAOYSA-N
XLogP2.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.20
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,3,3-tetrafluoropropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,4-Dihydro-2H-pyran-2-ylmethyl)-methyl-amine
CID 60136051
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoro-N-methylethanamine
CID 153410073
1-(3,4-dihydro-2H-pyran-2-yl)-2,2,2-trifluoro-N-methylethanamine
CID 55297095
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoroethanamine
CID 62064871
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3,3,3-trifluoropropan-1-amine
CID 63226222
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63828549
(2,2-difluoroethyl)(3,4-dihydro-2H-pyran-2-ylmethyl)amine
CID 75481269
N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2-difluoroethanamine
CID 97300300
N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2-difluoroethanamine
CID 97300301
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,4,4-trifluorobutan-2-amine
CID 102613521
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210664
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
CID 107094653

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,3,3-tetrafluoropropan-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,3,3-tetrafluoropropan-1-amine (CID 107095609) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,3,3-tetrafluoropropan-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,3,3-tetrafluoropropan-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,3,3-tetrafluoropropan-1-amine is FC(F)C(F)(F)CNCC1CCC=CO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,3,3-tetrafluoropropan-1-amine?
The InChIKey is JGXKQHCAAXZFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F4NO/c10-8(11)9(12,13)6-14-5-7-3-1-2-4-15-7/h2,4,7-8,14H,1,3,5-6H2.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,3,3-tetrafluoropropan-1-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,3,3-tetrafluoropropan-1-amine has a molecular weight of 227.20 g/mol, XLogP of 2.17, 5 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)-2,2,3,3-tetrafluoropropan-1-amine is sourced from PubChem (CID 107095609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).