N-(3,3,3-trifluoropropyl)pent-3-yn-1-amine

C8H12F3N — CID 104806864

IUPACN-(3,3,3-trifluoropropyl)pent-3-yn-1-amine
SMILESCC#CCCNCCC(F)(F)F
InChIInChI=1S/C8H12F3N/c1-2-3-4-6-12-7-5-8(9,10)11/h12H,4-7H2,1H3
InChIKeyZQJLZQIOSINIQX-UHFFFAOYSA-N
MW179.18 g/mol
LogP1.94
Rot. Bonds4

About N-(3,3,3-trifluoropropyl)pent-3-yn-1-amine

N-(3,3,3-trifluoropropyl)pent-3-yn-1-amine (PubChem CID 104806864) has the molecular formula C8H12F3N and a molecular weight of 179.18 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)pent-3-yn-1-amine.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)pent-3-yn-1-amine
PubChem CID104806864
Molecular FormulaC8H12F3N
Molecular Weight179.18 g/mol
Exact Mass179.09
IUPAC NameN-(3,3,3-trifluoropropyl)pent-3-yn-1-amine
SMILESCC#CCCNCCC(F)(F)F
InChIInChI=1S/C8H12F3N/c1-2-3-4-6-12-7-5-8(9,10)11/h12H,4-7H2,1H3
InChIKeyZQJLZQIOSINIQX-UHFFFAOYSA-N
XLogP1.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(trifluoromethylsulfanyl)ethyl]pent-3-yn-1-amine
CID 116643936
6,6,6-trifluorohex-2-yne
CID 87758944
N-but-3-ynylpent-3-yn-1-amine
CID 104806965
N-(2-ethylsulfanylethyl)pent-3-yn-1-amine
CID 116643789
N-but-2-ynyl-3,3-difluorobutan-1-amine
CID 131227219
3,3-dimethyl-N-propyloct-6-yn-1-amine
CID 104813839
N-(3,3,3-trifluoropropyl)hex-5-yn-1-amine
CID 106211547
5-(3,3,3-trifluoropropylamino)pentanenitrile
CID 63226133
3-methyl-1-(propylamino)oct-6-yn-3-ol
CID 104813083
4,4-dimethyl-5-(pent-3-ynylamino)pentanenitrile
CID 116642917
N-(2-pyrrolidin-1-ylethyl)pent-3-yn-1-amine
CID 104806798
tert-butyl N-[2-(pent-3-ynylamino)ethyl]carbamate
CID 116643280

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)pent-3-yn-1-amine?
The IUPAC name of N-(3,3,3-trifluoropropyl)pent-3-yn-1-amine (CID 104806864) is N-(3,3,3-trifluoropropyl)pent-3-yn-1-amine.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)pent-3-yn-1-amine?
The canonical SMILES for N-(3,3,3-trifluoropropyl)pent-3-yn-1-amine is CC#CCCNCCC(F)(F)F.
What is the InChIKey of N-(3,3,3-trifluoropropyl)pent-3-yn-1-amine?
The InChIKey is ZQJLZQIOSINIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N/c1-2-3-4-6-12-7-5-8(9,10)11/h12H,4-7H2,1H3.
What are the key properties of N-(3,3,3-trifluoropropyl)pent-3-yn-1-amine?
N-(3,3,3-trifluoropropyl)pent-3-yn-1-amine has a molecular weight of 179.18 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)pent-3-yn-1-amine is sourced from PubChem (CID 104806864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).