3,3,3-tri(18F)fluoropropan-1-amine

C3H6F3N — CID 10154023

IUPAC3,3,3-tri(18F)fluoropropan-1-amine
SMILESNCCC([18F])([18F])[18F]
InChIInChI=1S/C3H6F3N/c4-3(5,6)1-2-7/h1-2,7H2/i4-1,5-1,6-1
InChIKeyNGZVNONVXYLYQW-HYGAULBFSA-N
MW110.09 g/mol
LogP0.90
Rot. Bonds1

About 3,3,3-tri(18F)fluoropropan-1-amine

3,3,3-tri(18F)fluoropropan-1-amine (PubChem CID 10154023) has the molecular formula C3H6F3N and a molecular weight of 110.09 g/mol. Its IUPAC name is 3,3,3-tri(18F)fluoropropan-1-amine.

Molecular Properties

Compound Name3,3,3-tri(18F)fluoropropan-1-amine
PubChem CID10154023
Molecular FormulaC3H6F3N
Molecular Weight110.09 g/mol
Exact Mass110.05
IUPAC Name3,3,3-tri(18F)fluoropropan-1-amine
SMILESNCCC([18F])([18F])[18F]
InChIInChI=1S/C3H6F3N/c4-3(5,6)1-2-7/h1-2,7H2/i4-1,5-1,6-1
InChIKeyNGZVNONVXYLYQW-HYGAULBFSA-N
XLogP0.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.09
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N'-(4,4,4-trifluorobutyl)ethane-1,2-diamine
CID 115513664
10,10,10-trifluorodecan-1-amine
CID 151642080
N'-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 115513666
3,3,4,4,5,5-hexafluoroheptane-1,7-diamine
CID 170615056
N'-(3,3,3-trifluoropropyl)hexane-1,6-diamine
CID 63228081
3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodecane-1,10-diamine
CID 15061690
2,2-bis(3,3,3-trifluoropropyl)propane-1,3-diamine
CID 59339468
3-methyl-3-azabicyclo[3.2.1]octane;3,3,3-trifluoropropan-1-amine
CID 145332353
difluoromethane;1,1,1,3-tetrafluoropropane
CID 91452847
3,3-difluoropentan-1-amine
CID 84762152
N-[2-(2-aminoethoxy)ethyl]-3,3,3-trifluoropropan-1-amine
CID 79479154
N'-(2-aminoethyl)-N-(4,4,4-trifluorobutyl)oxamide
CID 115514932

Frequently Asked Questions

What is the IUPAC name of 3,3,3-tri(18F)fluoropropan-1-amine?
The IUPAC name of 3,3,3-tri(18F)fluoropropan-1-amine (CID 10154023) is 3,3,3-tri(18F)fluoropropan-1-amine.
What is the SMILES notation for 3,3,3-tri(18F)fluoropropan-1-amine?
The canonical SMILES for 3,3,3-tri(18F)fluoropropan-1-amine is NCCC([18F])([18F])[18F].
What is the InChIKey of 3,3,3-tri(18F)fluoropropan-1-amine?
The InChIKey is NGZVNONVXYLYQW-HYGAULBFSA-N. The full InChI is InChI=1S/C3H6F3N/c4-3(5,6)1-2-7/h1-2,7H2/i4-1,5-1,6-1.
What are the key properties of 3,3,3-tri(18F)fluoropropan-1-amine?
3,3,3-tri(18F)fluoropropan-1-amine has a molecular weight of 110.09 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-tri(18F)fluoropropan-1-amine is sourced from PubChem (CID 10154023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).