2-ethyl-N-(2,2,3,3-tetrafluoropropyl)butan-1-amine

C9H17F4N — CID 103529398

IUPAC2-ethyl-N-(2,2,3,3-tetrafluoropropyl)butan-1-amine
SMILESCCC(CC)CNCC(F)(F)C(F)F
InChIInChI=1S/C9H17F4N/c1-3-7(4-2)5-14-6-9(12,13)8(10)11/h7-8,14H,3-6H2,1-2H3
InChIKeyDNXXTJDTZATOIM-UHFFFAOYSA-N
MW215.23 g/mol
LogP2.91
Rot. Bonds7

About 2-ethyl-N-(2,2,3,3-tetrafluoropropyl)butan-1-amine

2-ethyl-N-(2,2,3,3-tetrafluoropropyl)butan-1-amine (PubChem CID 103529398) has the molecular formula C9H17F4N and a molecular weight of 215.23 g/mol. Its IUPAC name is 2-ethyl-N-(2,2,3,3-tetrafluoropropyl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(2,2,3,3-tetrafluoropropyl)butan-1-amine
PubChem CID103529398
Molecular FormulaC9H17F4N
Molecular Weight215.23 g/mol
Exact Mass215.13
IUPAC Name2-ethyl-N-(2,2,3,3-tetrafluoropropyl)butan-1-amine
SMILESCCC(CC)CNCC(F)(F)C(F)F
InChIInChI=1S/C9H17F4N/c1-3-7(4-2)5-14-6-9(12,13)8(10)11/h7-8,14H,3-6H2,1-2H3
InChIKeyDNXXTJDTZATOIM-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-N-(2,2,3,3-tetrafluoropropyl)pentane-1,2-diamine
CID 106293632
2-methyl-N-(2,2,3,3-tetrafluoropropyl)butane-1,4-diamine
CID 106293654
N-(2,2,3,3-tetrafluoropropyl)decan-1-amine
CID 106289504
N-(2,2-difluoro-2-phenylethyl)-2-ethylbutan-1-amine
CID 116789342
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-ethyl-N-(2-methoxy-2-methylpropyl)butan-1-amine
CID 115757001
N-(2,2,3,3-tetrafluoropropyl)but-2-yn-1-amine
CID 106292221
3-(2-ethylbutylamino)-1,1,1-trifluoropropan-2-ol
CID 115592465
4-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)butane-1,2-diamine
CID 106293951
N-(3-ethylsulfanylpropyl)-2,2,3,3-tetrafluoropropan-1-amine
CID 103529290
N,2-diethylbutan-1-amine;hydrochloride
CID 171379469

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2,2,3,3-tetrafluoropropyl)butan-1-amine?
The IUPAC name of 2-ethyl-N-(2,2,3,3-tetrafluoropropyl)butan-1-amine (CID 103529398) is 2-ethyl-N-(2,2,3,3-tetrafluoropropyl)butan-1-amine.
What is the SMILES notation for 2-ethyl-N-(2,2,3,3-tetrafluoropropyl)butan-1-amine?
The canonical SMILES for 2-ethyl-N-(2,2,3,3-tetrafluoropropyl)butan-1-amine is CCC(CC)CNCC(F)(F)C(F)F.
What is the InChIKey of 2-ethyl-N-(2,2,3,3-tetrafluoropropyl)butan-1-amine?
The InChIKey is DNXXTJDTZATOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F4N/c1-3-7(4-2)5-14-6-9(12,13)8(10)11/h7-8,14H,3-6H2,1-2H3.
What are the key properties of 2-ethyl-N-(2,2,3,3-tetrafluoropropyl)butan-1-amine?
2-ethyl-N-(2,2,3,3-tetrafluoropropyl)butan-1-amine has a molecular weight of 215.23 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2,2,3,3-tetrafluoropropyl)butan-1-amine is sourced from PubChem (CID 103529398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).