N-(2,2,3,3-tetrafluoropropyl)but-2-yn-1-amine

C7H9F4N — CID 106292221

IUPACN-(2,2,3,3-tetrafluoropropyl)but-2-yn-1-amine
SMILESCC#CCNCC(F)(F)C(F)F
InChIInChI=1S/C7H9F4N/c1-2-3-4-12-5-7(10,11)6(8)9/h6,12H,4-5H2,1H3
InChIKeyDKNAPRDHEXEBDL-UHFFFAOYSA-N
MW183.15 g/mol
LogP1.50
Rot. Bonds4

About N-(2,2,3,3-tetrafluoropropyl)but-2-yn-1-amine

N-(2,2,3,3-tetrafluoropropyl)but-2-yn-1-amine (PubChem CID 106292221) has the molecular formula C7H9F4N and a molecular weight of 183.15 g/mol. Its IUPAC name is N-(2,2,3,3-tetrafluoropropyl)but-2-yn-1-amine.

Molecular Properties

Compound NameN-(2,2,3,3-tetrafluoropropyl)but-2-yn-1-amine
PubChem CID106292221
Molecular FormulaC7H9F4N
Molecular Weight183.15 g/mol
Exact Mass183.07
IUPAC NameN-(2,2,3,3-tetrafluoropropyl)but-2-yn-1-amine
SMILESCC#CCNCC(F)(F)C(F)F
InChIInChI=1S/C7H9F4N/c1-2-3-4-12-5-7(10,11)6(8)9/h6,12H,4-5H2,1H3
InChIKeyDKNAPRDHEXEBDL-UHFFFAOYSA-N
XLogP1.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.15
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(but-2-ynylamino)-2-methylpropan-2-ol
CID 65106731
2-ethyl-N-(2,2,3,3-tetrafluoropropyl)butan-1-amine
CID 103529398
N-(2,2,3,3-tetrafluoropropyl)decan-1-amine
CID 106289504
3-methyl-N-(2,2,3,3-tetrafluoropropyl)but-2-en-1-amine
CID 106737170
N-but-2-ynyl-3,3-difluorobutan-1-amine
CID 131227219
N-(2-ethylsulfonylethyl)-2,2,3,3-tetrafluoropropan-1-amine
CID 106292109
N-(2-ethylsulfanylethyl)-2,2,3,3-tetrafluoropropan-1-amine
CID 103529596
2,2,3,3-tetrafluoro-N-trimethylsilylpropan-1-amine
CID 15681451
2-methyl-N-(2,2,3,3-tetrafluoropropyl)butane-1,4-diamine
CID 106293654
4-(but-2-ynylamino)-3,3-dimethylbutan-1-ol
CID 106146857
3-methyl-1-N-(2,2,3,3-tetrafluoropropyl)pentane-1,2-diamine
CID 106293632
N-(3-ethylsulfanylpropyl)-2,2,3,3-tetrafluoropropan-1-amine
CID 103529290

Frequently Asked Questions

What is the IUPAC name of N-(2,2,3,3-tetrafluoropropyl)but-2-yn-1-amine?
The IUPAC name of N-(2,2,3,3-tetrafluoropropyl)but-2-yn-1-amine (CID 106292221) is N-(2,2,3,3-tetrafluoropropyl)but-2-yn-1-amine.
What is the SMILES notation for N-(2,2,3,3-tetrafluoropropyl)but-2-yn-1-amine?
The canonical SMILES for N-(2,2,3,3-tetrafluoropropyl)but-2-yn-1-amine is CC#CCNCC(F)(F)C(F)F.
What is the InChIKey of N-(2,2,3,3-tetrafluoropropyl)but-2-yn-1-amine?
The InChIKey is DKNAPRDHEXEBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F4N/c1-2-3-4-12-5-7(10,11)6(8)9/h6,12H,4-5H2,1H3.
What are the key properties of N-(2,2,3,3-tetrafluoropropyl)but-2-yn-1-amine?
N-(2,2,3,3-tetrafluoropropyl)but-2-yn-1-amine has a molecular weight of 183.15 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,3,3-tetrafluoropropyl)but-2-yn-1-amine is sourced from PubChem (CID 106292221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).