5,5,5-trifluoro-1-(furan-2-yl)-N-propylpentan-2-amine

C12H18F3NO — CID 83183463

IUPAC5,5,5-trifluoro-1-(furan-2-yl)-N-propylpentan-2-amine
SMILESCCCNC(CCC(F)(F)F)Cc1ccco1
InChIInChI=1S/C12H18F3NO/c1-2-7-16-10(5-6-12(13,14)15)9-11-4-3-8-17-11/h3-4,8,10,16H,2,5-7,9H2,1H3
InChIKeyMBFVRDLPBAIKOL-UHFFFAOYSA-N
MW249.28 g/mol
LogP3.53
Rot. Bonds7

About 5,5,5-trifluoro-1-(furan-2-yl)-N-propylpentan-2-amine

5,5,5-trifluoro-1-(furan-2-yl)-N-propylpentan-2-amine (PubChem CID 83183463) has the molecular formula C12H18F3NO and a molecular weight of 249.28 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(furan-2-yl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(furan-2-yl)-N-propylpentan-2-amine
PubChem CID83183463
Molecular FormulaC12H18F3NO
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC Name5,5,5-trifluoro-1-(furan-2-yl)-N-propylpentan-2-amine
SMILESCCCNC(CCC(F)(F)F)Cc1ccco1
InChIInChI=1S/C12H18F3NO/c1-2-7-16-10(5-6-12(13,14)15)9-11-4-3-8-17-11/h3-4,8,10,16H,2,5-7,9H2,1H3
InChIKeyMBFVRDLPBAIKOL-UHFFFAOYSA-N
XLogP3.53
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(furan-2-yl)-N-propyldecan-2-amine
CID 105029170
1-(furan-2-yl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 83175814
1-(furan-2-yl)-4-(4-methylphenyl)-N-propylbutan-2-amine
CID 105177408
N-[2-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 105029239
1-cycloheptyl-3-(furan-2-yl)-N-propylpropan-2-amine
CID 105029141
5,5,5-trifluoro-1-(4-fluorophenyl)-N-propylpentan-2-amine
CID 64564942
4,4,4-trifluoro-1-(furan-2-yl)-N-methylbutan-2-amine
CID 83175606
1-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-2-amine
CID 83174817
1-(furan-2-yl)-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine
CID 83175059
1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 64565792
1-(5-chloro-2-fluorophenyl)-4-(furan-2-yl)-N-propylbutan-2-amine
CID 103053057
5,5,5-trifluoro-N-propyl-1-pyridin-3-ylpentan-2-amine
CID 64565788

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(furan-2-yl)-N-propylpentan-2-amine?
The IUPAC name of 5,5,5-trifluoro-1-(furan-2-yl)-N-propylpentan-2-amine (CID 83183463) is 5,5,5-trifluoro-1-(furan-2-yl)-N-propylpentan-2-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(furan-2-yl)-N-propylpentan-2-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(furan-2-yl)-N-propylpentan-2-amine is CCCNC(CCC(F)(F)F)Cc1ccco1.
What is the InChIKey of 5,5,5-trifluoro-1-(furan-2-yl)-N-propylpentan-2-amine?
The InChIKey is MBFVRDLPBAIKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO/c1-2-7-16-10(5-6-12(13,14)15)9-11-4-3-8-17-11/h3-4,8,10,16H,2,5-7,9H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-(furan-2-yl)-N-propylpentan-2-amine?
5,5,5-trifluoro-1-(furan-2-yl)-N-propylpentan-2-amine has a molecular weight of 249.28 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(furan-2-yl)-N-propylpentan-2-amine is sourced from PubChem (CID 83183463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).