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

C9H14F3NO — CID 102651937

IUPAC1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
SMILESCNC(CCC(F)(F)F)C1=CCCO1
InChIInChI=1S/C9H14F3NO/c1-13-7(4-5-9(10,11)12)8-3-2-6-14-8/h3,7,13H,2,4-6H2,1H3
InChIKeyHXPANMPTIVOIRR-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.22
Rot. Bonds4

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

1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine (PubChem CID 102651937) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
PubChem CID102651937
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
SMILESCNC(CCC(F)(F)F)C1=CCCO1
InChIInChI=1S/C9H14F3NO/c1-13-7(4-5-9(10,11)12)8-3-2-6-14-8/h3,7,13H,2,4-6H2,1H3
InChIKeyHXPANMPTIVOIRR-UHFFFAOYSA-N
XLogP2.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Difluoro-1-(5-methyl-2,3-dihydrofuran-2-yl)butan-1-amine
CID 89205781
(1S)-2,2-difluoro-1-(5-methyl-2,3-dihydrofuran-2-yl)propan-1-amine
CID 89246179
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
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)-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

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine (CID 102651937) is 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine is CNC(CCC(F)(F)F)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine?
The InChIKey is HXPANMPTIVOIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-13-7(4-5-9(10,11)12)8-3-2-6-14-8/h3,7,13H,2,4-6H2,1H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine?
1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine has a molecular weight of 209.21 g/mol, XLogP of 2.22, 4 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-methylbutan-1-amine is sourced from PubChem (CID 102651937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).