3,3-difluoro-2,2-dimethyl-3-thiophen-2-ylpropan-1-amine

C9H13F2NS — CID 116839610

IUPAC3,3-difluoro-2,2-dimethyl-3-thiophen-2-ylpropan-1-amine
SMILESCC(C)(CN)C(F)(F)c1cccs1
InChIInChI=1S/C9H13F2NS/c1-8(2,6-12)9(10,11)7-4-3-5-13-7/h3-5H,6,12H2,1-2H3
InChIKeyZSDLWBZLRDOHQW-UHFFFAOYSA-N
MW205.27 g/mol
LogP2.82
Rot. Bonds3

About 3,3-difluoro-2,2-dimethyl-3-thiophen-2-ylpropan-1-amine

3,3-difluoro-2,2-dimethyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 116839610) has the molecular formula C9H13F2NS and a molecular weight of 205.27 g/mol. Its IUPAC name is 3,3-difluoro-2,2-dimethyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-2,2-dimethyl-3-thiophen-2-ylpropan-1-amine
PubChem CID116839610
Molecular FormulaC9H13F2NS
Molecular Weight205.27 g/mol
Exact Mass205.07
IUPAC Name3,3-difluoro-2,2-dimethyl-3-thiophen-2-ylpropan-1-amine
SMILESCC(C)(CN)C(F)(F)c1cccs1
InChIInChI=1S/C9H13F2NS/c1-8(2,6-12)9(10,11)7-4-3-5-13-7/h3-5H,6,12H2,1-2H3
InChIKeyZSDLWBZLRDOHQW-UHFFFAOYSA-N
XLogP2.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.27
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(Thiophen-2-yl)cyclohexyl]methanamine
CID 16494915
1-(1-(Thiophen-2-yl)cyclohexyl)ethanamine
CID 24860900
(1-(Thiophen-2-yl)cyclopentyl)methanamine
CID 16495144
2-(Thiophen-2-yl)propan-1-amine
CID 4322464
[1-(Thiophen-2-yl)cyclopropyl]methanamine
CID 15611175
alpha-(1,1-Dimethylethyl)-2-thiophenemethanamine
CID 20772539
2-Methyl-2-(thiophen-2-yl)propan-1-amine
CID 51664087
(5-Tert-butylthiophen-2-yl)methanamine hydrochloride
CID 126796953
3-(3-Methylthiophen-2-yl)propan-1-amine
CID 17931149
4-[3-(Trifluoromethyl)thiophen-2-yl]butan-2-amine
CID 18466510
(E)-3-fluoro-2-thiophen-2-ylprop-2-en-1-amine
CID 19789973
(E)-3-fluoro-2-[(5-methylthiophen-2-yl)methyl]prop-2-en-1-amine
CID 25014179

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2,2-dimethyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 3,3-difluoro-2,2-dimethyl-3-thiophen-2-ylpropan-1-amine (CID 116839610) is 3,3-difluoro-2,2-dimethyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 3,3-difluoro-2,2-dimethyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 3,3-difluoro-2,2-dimethyl-3-thiophen-2-ylpropan-1-amine is CC(C)(CN)C(F)(F)c1cccs1.
What is the InChIKey of 3,3-difluoro-2,2-dimethyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is ZSDLWBZLRDOHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NS/c1-8(2,6-12)9(10,11)7-4-3-5-13-7/h3-5H,6,12H2,1-2H3.
What are the key properties of 3,3-difluoro-2,2-dimethyl-3-thiophen-2-ylpropan-1-amine?
3,3-difluoro-2,2-dimethyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 205.27 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2,2-dimethyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 116839610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).