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

C8H12F3NO — CID 102647258

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoropropan-1-amine
SMILESNC(CC(F)(F)F)C1=CCCCO1
InChIInChI=1S/C8H12F3NO/c9-8(10,11)5-6(12)7-3-1-2-4-13-7/h3,6H,1-2,4-5,12H2
InChIKeyLZLLGLRHXIEZMU-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.96
Rot. Bonds2

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

1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoropropan-1-amine (PubChem CID 102647258) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoropropan-1-amine
PubChem CID102647258
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoropropan-1-amine
SMILESNC(CC(F)(F)F)C1=CCCCO1
InChIInChI=1S/C8H12F3NO/c9-8(10,11)5-6(12)7-3-1-2-4-13-7/h3,6H,1-2,4-5,12H2
InChIKeyLZLLGLRHXIEZMU-UHFFFAOYSA-N
XLogP1.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 142810444
(5Z)-5-ethoxy-3,3-difluorohepta-1,5-dien-4-amine
CID 142810445
3,3,3-Trifluoro-1-(2-methyl-2,3-dihydrofuran-5-yl)propan-1-amine
CID 142856948
ethane;3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine
CID 143080456
1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 102647259
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 102647260
1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 102647261
1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluorobutan-1-amine
CID 102647826
1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoro-N-methylethanamine
CID 102649052
N-[1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethyl]propan-1-amine
CID 102649135

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoropropan-1-amine (CID 102647258) is 1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoropropan-1-amine is NC(CC(F)(F)F)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is LZLLGLRHXIEZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c9-8(10,11)5-6(12)7-3-1-2-4-13-7/h3,6H,1-2,4-5,12H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoropropan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 195.18 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 102647258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).