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

C10H13F4NS — CID 103529513

IUPACN-[(5-ethylthiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
SMILESCCc1ccc(CNCC(F)(F)C(F)F)s1
InChIInChI=1S/C10H13F4NS/c1-2-7-3-4-8(16-7)5-15-6-10(13,14)9(11)12/h3-4,9,15H,2,5-6H2,1H3
InChIKeyJVCXUGYOWOTXKO-UHFFFAOYSA-N
MW255.28 g/mol
LogP3.30
Rot. Bonds6

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

N-[(5-ethylthiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine (PubChem CID 103529513) has the molecular formula C10H13F4NS and a molecular weight of 255.28 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
PubChem CID103529513
Molecular FormulaC10H13F4NS
Molecular Weight255.28 g/mol
Exact Mass255.07
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
SMILESCCc1ccc(CNCC(F)(F)C(F)F)s1
InChIInChI=1S/C10H13F4NS/c1-2-7-3-4-8(16-7)5-15-6-10(13,14)9(11)12/h3-4,9,15H,2,5-6H2,1H3
InChIKeyJVCXUGYOWOTXKO-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(5-ethylthiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-tert-butylthiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 103529605
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 106289474
1-N-[(5-ethylthiophen-2-yl)methyl]-3,3-dimethylbutane-1,2-diamine
CID 106012081
2,5-diethylthiophene
CID 521294
N'-[(5-ethylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62142433
N-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 103529672
N-[(5-ethylthiophen-2-yl)methyl]hydroxylamine
CID 82686078
2,2,3,3-tetrafluoro-N-[[4-(methoxymethyl)phenyl]methyl]propan-1-amine
CID 103529393
1-ethyl-N-[(5-ethylthiophen-2-yl)methyl]cyclobutan-1-amine
CID 115673684
N-[(5-ethylthiophen-2-yl)methyl]heptan-1-amine
CID 106009218
1-N-[(5-ethylthiophen-2-yl)methyl]-3-methylpentane-1,2-diamine
CID 106012217
N-[[5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107559170

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine (CID 103529513) is N-[(5-ethylthiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine is CCc1ccc(CNCC(F)(F)C(F)F)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The InChIKey is JVCXUGYOWOTXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F4NS/c1-2-7-3-4-8(16-7)5-15-6-10(13,14)9(11)12/h3-4,9,15H,2,5-6H2,1H3.
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
N-[(5-ethylthiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine has a molecular weight of 255.28 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine is sourced from PubChem (CID 103529513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).