N-[(5-tert-butylthiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine

C12H17F4NS — CID 103529605

IUPACN-[(5-tert-butylthiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
SMILESCC(C)(C)c1ccc(CNCC(F)(F)C(F)F)s1
InChIInChI=1S/C12H17F4NS/c1-11(2,3)9-5-4-8(18-9)6-17-7-12(15,16)10(13)14/h4-5,10,17H,6-7H2,1-3H3
InChIKeyLALKROLLISQHEO-UHFFFAOYSA-N
MW283.33 g/mol
LogP4.04
Rot. Bonds5

About N-[(5-tert-butylthiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine

N-[(5-tert-butylthiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine (PubChem CID 103529605) has the molecular formula C12H17F4NS and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[(5-tert-butylthiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine.

Molecular Properties

Compound NameN-[(5-tert-butylthiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
PubChem CID103529605
Molecular FormulaC12H17F4NS
Molecular Weight283.33 g/mol
Exact Mass283.10
IUPAC NameN-[(5-tert-butylthiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
SMILESCC(C)(C)c1ccc(CNCC(F)(F)C(F)F)s1
InChIInChI=1S/C12H17F4NS/c1-11(2,3)9-5-4-8(18-9)6-17-7-12(15,16)10(13)14/h4-5,10,17H,6-7H2,1-3H3
InChIKeyLALKROLLISQHEO-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 103529513
N-[(5-tert-butylthiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904213
2-[[(5-tert-butylthiophen-2-yl)methylamino]methyl]-2-ethylbutan-1-ol
CID 106251612
1-[(5-tert-butylthiophen-2-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 103816316
1-N-[(5-tert-butylthiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 81497928
N-[(5-tert-butylthiophen-2-yl)methyl]-2-propan-2-ylsulfanylethanamine
CID 123291785
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 106289474
N-[(5-tert-butylthiophen-2-yl)methyl]-2-methylsulfinylethanamine
CID 115742089
2-[(5-tert-butylthiophen-2-yl)methylamino]-N-methylacetamide
CID 81495461
N-[(5-tert-butylthiophen-2-yl)methyl]aniline
CID 58624276
N-[(5-tert-butylthiophen-2-yl)methyl]-N',N'-dimethylbutane-1,4-diamine
CID 81498673
1-(5-tert-butylthiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 102673082

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butylthiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The IUPAC name of N-[(5-tert-butylthiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine (CID 103529605) is N-[(5-tert-butylthiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine.
What is the SMILES notation for N-[(5-tert-butylthiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The canonical SMILES for N-[(5-tert-butylthiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine is CC(C)(C)c1ccc(CNCC(F)(F)C(F)F)s1.
What is the InChIKey of N-[(5-tert-butylthiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The InChIKey is LALKROLLISQHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F4NS/c1-11(2,3)9-5-4-8(18-9)6-17-7-12(15,16)10(13)14/h4-5,10,17H,6-7H2,1-3H3.
What are the key properties of N-[(5-tert-butylthiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
N-[(5-tert-butylthiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine has a molecular weight of 283.33 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butylthiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine is sourced from PubChem (CID 103529605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).