1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluoro-N-propylbutan-1-amine

C11H18F3NO — CID 102651939

IUPAC1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)C1=CCCO1
InChIInChI=1S/C11H18F3NO/c1-2-7-15-9(5-6-11(12,13)14)10-4-3-8-16-10/h4,9,15H,2-3,5-8H2,1H3
InChIKeyPXYFFHMUOCQXQP-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.00
Rot. Bonds6

About 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluoro-N-propylbutan-1-amine

1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluoro-N-propylbutan-1-amine (PubChem CID 102651939) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluoro-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
PubChem CID102651939
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)C1=CCCO1
InChIInChI=1S/C11H18F3NO/c1-2-7-15-9(5-6-11(12,13)14)10-4-3-8-16-10/h4,9,15H,2-3,5-8H2,1H3
InChIKeyPXYFFHMUOCQXQP-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

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Related Compounds

2-But-3-en-2-yl-5-(2,2-difluorobutoxy)-1,2,3,6-tetrahydropyridine
CID 91029455
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
N-[1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethyl]propan-1-amine
CID 102649135
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,2,2-trifluoroethanamine
CID 102649349
1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 102651352
1-(2,3-dihydrofuran-5-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 102651353
1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 102651354

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluoro-N-propylbutan-1-amine?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluoro-N-propylbutan-1-amine (CID 102651939) is 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluoro-N-propylbutan-1-amine.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluoro-N-propylbutan-1-amine?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluoro-N-propylbutan-1-amine is CCCNC(CCC(F)(F)F)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluoro-N-propylbutan-1-amine?
The InChIKey is PXYFFHMUOCQXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-2-7-15-9(5-6-11(12,13)14)10-4-3-8-16-10/h4,9,15H,2-3,5-8H2,1H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluoro-N-propylbutan-1-amine?
1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluoro-N-propylbutan-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 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluoro-N-propylbutan-1-amine is sourced from PubChem (CID 102651939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).