1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine

C8H12F3NO — CID 102651352

IUPAC1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCNC(CC(F)(F)F)C1=CCCO1
InChIInChI=1S/C8H12F3NO/c1-12-6(5-8(9,10)11)7-3-2-4-13-7/h3,6,12H,2,4-5H2,1H3
InChIKeySDTWVSAVUXLTDW-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.83
Rot. Bonds3

About 1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine

1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine (PubChem CID 102651352) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
PubChem CID102651352
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCNC(CC(F)(F)F)C1=CCCO1
InChIInChI=1S/C8H12F3NO/c1-12-6(5-8(9,10)11)7-3-2-4-13-7/h3,6,12H,2,4-5H2,1H3
InChIKeySDTWVSAVUXLTDW-UHFFFAOYSA-N
XLogP1.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydrofuran-5-ylmethyl)-1,1,1-trifluoromethanamine
CID 129272931
N-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-3-amine
CID 141535728
3,3,3-Trifluoro-1-(2-methyl-2,3-dihydrofuran-5-yl)propan-1-amine
CID 142856948
4-fluoro-N-methyl-2-propoxycyclohexa-2,4-dien-1-amine
CID 174310276
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-trifluoro-N-methylbutan-1-amine
CID 102647827
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 102647828
1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 102647829
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-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine (CID 102651352) is 1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine is CNC(CC(F)(F)F)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine?
The InChIKey is SDTWVSAVUXLTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c1-12-6(5-8(9,10)11)7-3-2-4-13-7/h3,6,12H,2,4-5H2,1H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine?
1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine has a molecular weight of 195.18 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine is sourced from PubChem (CID 102651352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).