N-(2,2-difluoro-1-thiophen-2-ylethyl)propan-1-amine

C9H13F2NS — CID 103759718

IUPACN-(2,2-difluoro-1-thiophen-2-ylethyl)propan-1-amine
SMILESCCCNC(c1cccs1)C(F)F
InChIInChI=1S/C9H13F2NS/c1-2-5-12-8(9(10)11)7-4-3-6-13-7/h3-4,6,8-9,12H,2,5H2,1H3
InChIKeyTWKFJKCTHZPVHM-UHFFFAOYSA-N
MW205.27 g/mol
LogP3.05
Rot. Bonds5

About N-(2,2-difluoro-1-thiophen-2-ylethyl)propan-1-amine

N-(2,2-difluoro-1-thiophen-2-ylethyl)propan-1-amine (PubChem CID 103759718) has the molecular formula C9H13F2NS and a molecular weight of 205.27 g/mol. Its IUPAC name is N-(2,2-difluoro-1-thiophen-2-ylethyl)propan-1-amine.

Molecular Properties

Compound NameN-(2,2-difluoro-1-thiophen-2-ylethyl)propan-1-amine
PubChem CID103759718
Molecular FormulaC9H13F2NS
Molecular Weight205.27 g/mol
Exact Mass205.07
IUPAC NameN-(2,2-difluoro-1-thiophen-2-ylethyl)propan-1-amine
SMILESCCCNC(c1cccs1)C(F)F
InChIInChI=1S/C9H13F2NS/c1-2-5-12-8(9(10)11)7-4-3-6-13-7/h3-4,6,8-9,12H,2,5H2,1H3
InChIKeyTWKFJKCTHZPVHM-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.27
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-N-propyl-1-thiophen-2-yl-2-(trifluoromethyl)propan-1-amine
CID 103309616
2-ethoxy-N-propyl-1-thiophen-2-ylpropan-1-amine
CID 64534607
N-[2,2-difluoro-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine
CID 103517279
N-[1-(3-chlorothiophen-2-yl)-2,2-difluoroethyl]propan-1-amine
CID 107361897
N-[(2-methylfuran-3-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495891
3-methyl-2-phenyl-N-propyl-1-thiophen-2-ylpentan-1-amine
CID 43495942
N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine
CID 43495964
N-[(3,5-dimethylphenyl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495957
N-[(4-bromophenyl)-thiophen-2-ylmethyl]propan-1-amine
CID 43494486
N-propyl-1-thiophen-2-ylpent-4-yn-1-amine
CID 63657512
N-[(3-methylthiophen-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495885
N-[1-[3-(difluoromethyl)phenyl]-2,2-difluoroethyl]propan-1-amine
CID 113329159

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1-thiophen-2-ylethyl)propan-1-amine?
The IUPAC name of N-(2,2-difluoro-1-thiophen-2-ylethyl)propan-1-amine (CID 103759718) is N-(2,2-difluoro-1-thiophen-2-ylethyl)propan-1-amine.
What is the SMILES notation for N-(2,2-difluoro-1-thiophen-2-ylethyl)propan-1-amine?
The canonical SMILES for N-(2,2-difluoro-1-thiophen-2-ylethyl)propan-1-amine is CCCNC(c1cccs1)C(F)F.
What is the InChIKey of N-(2,2-difluoro-1-thiophen-2-ylethyl)propan-1-amine?
The InChIKey is TWKFJKCTHZPVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NS/c1-2-5-12-8(9(10)11)7-4-3-6-13-7/h3-4,6,8-9,12H,2,5H2,1H3.
What are the key properties of N-(2,2-difluoro-1-thiophen-2-ylethyl)propan-1-amine?
N-(2,2-difluoro-1-thiophen-2-ylethyl)propan-1-amine has a molecular weight of 205.27 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1-thiophen-2-ylethyl)propan-1-amine is sourced from PubChem (CID 103759718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).