1-(4,5-dimethylfuran-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine

C12H17F4NO — CID 114249160

IUPAC1-(4,5-dimethylfuran-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
SMILESCCCNC(c1cc(C)c(C)o1)C(F)(F)C(F)F
InChIInChI=1S/C12H17F4NO/c1-4-5-17-10(12(15,16)11(13)14)9-6-7(2)8(3)18-9/h6,10-11,17H,4-5H2,1-3H3
InChIKeyVRHNUBWGMXAVOV-UHFFFAOYSA-N
MW267.27 g/mol
LogP3.84
Rot. Bonds6

About 1-(4,5-dimethylfuran-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine

1-(4,5-dimethylfuran-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine (PubChem CID 114249160) has the molecular formula C12H17F4NO and a molecular weight of 267.27 g/mol. Its IUPAC name is 1-(4,5-dimethylfuran-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(4,5-dimethylfuran-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
PubChem CID114249160
Molecular FormulaC12H17F4NO
Molecular Weight267.27 g/mol
Exact Mass267.12
IUPAC Name1-(4,5-dimethylfuran-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
SMILESCCCNC(c1cc(C)c(C)o1)C(F)(F)C(F)F
InChIInChI=1S/C12H17F4NO/c1-4-5-17-10(12(15,16)11(13)14)9-6-7(2)8(3)18-9/h6,10-11,17H,4-5H2,1-3H3
InChIKeyVRHNUBWGMXAVOV-UHFFFAOYSA-N
XLogP3.84
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4,5-dimethylfuran-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine with MolForge

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Related Compounds

1-(4-chlorophenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 79660522
1-(4-tert-butylphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 79644553
1-(4-bromo-2,5-difluorophenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 79660900
1-(4,5-dimethylfuran-2-yl)-N-propylheptan-1-amine
CID 114249134
2,2,3,3-tetrafluoro-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
CID 79644292
1-(3-bromothiophen-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 80535785
1-(5-bromo-2-ethoxyphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 79644821
2,2-dimethyl-N-propyl-1-(4,6,7-trimethyl-1-benzofuran-2-yl)propan-1-amine
CID 65439868
N-[1-[3-(difluoromethyl)phenyl]-2,2,2-trifluoroethyl]propan-1-amine
CID 115528827
1-(1-benzothiophen-3-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 79660798
(1R)-1-(4,5-dimethylfuran-2-yl)-2,2-difluoroethanamine
CID 130665704
1-(5-bromo-2-methylthiophen-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine
CID 79659826

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylfuran-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine?
The IUPAC name of 1-(4,5-dimethylfuran-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine (CID 114249160) is 1-(4,5-dimethylfuran-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine.
What is the SMILES notation for 1-(4,5-dimethylfuran-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine?
The canonical SMILES for 1-(4,5-dimethylfuran-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine is CCCNC(c1cc(C)c(C)o1)C(F)(F)C(F)F.
What is the InChIKey of 1-(4,5-dimethylfuran-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine?
The InChIKey is VRHNUBWGMXAVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F4NO/c1-4-5-17-10(12(15,16)11(13)14)9-6-7(2)8(3)18-9/h6,10-11,17H,4-5H2,1-3H3.
What are the key properties of 1-(4,5-dimethylfuran-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine?
1-(4,5-dimethylfuran-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine has a molecular weight of 267.27 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylfuran-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine is sourced from PubChem (CID 114249160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).