2,2-difluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine

C8H15F2NS — CID 80723122

IUPAC2,2-difluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine
SMILESCC1(CNCC(F)F)CCCS1
InChIInChI=1S/C8H15F2NS/c1-8(3-2-4-12-8)6-11-5-7(9)10/h7,11H,2-6H2,1H3
InChIKeyBDFBJCYWZWFJEK-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.13
Rot. Bonds4

About 2,2-difluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine

2,2-difluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine (PubChem CID 80723122) has the molecular formula C8H15F2NS and a molecular weight of 195.28 g/mol. Its IUPAC name is 2,2-difluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine
PubChem CID80723122
Molecular FormulaC8H15F2NS
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC Name2,2-difluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine
SMILESCC1(CNCC(F)F)CCCS1
InChIInChI=1S/C8H15F2NS/c1-8(3-2-4-12-8)6-11-5-7(9)10/h7,11H,2-6H2,1H3
InChIKeyBDFBJCYWZWFJEK-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-thiazolidine
CID 140796110
(2S)-2-[(5,5,5-trifluoro-4-methylpentyl)sulfanylmethyl]pyrrolidine
CID 140997839
(2R)-5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazolidine
CID 163878814
2,2,2-trifluoro-N-(thiolan-3-ylmethyl)ethanamine
CID 64166226
2,2,2-trifluoro-N-(thiolan-2-ylmethyl)ethanamine
CID 64166227
5-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine
CID 79942511
5-methyl-N-(3,3,3-trifluoropropyl)thiolan-3-amine
CID 79950682
3-(aminomethyl)-5-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine
CID 79950713
3,3,3-trifluoro-N-(thiolan-2-ylmethyl)propan-1-amine
CID 80585461
2,2-difluoro-N-(thiolan-2-ylmethyl)ethanamine
CID 80585583
3,3,3-trifluoro-N-[(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 80722297
2,2,2-trifluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80722665

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine (CID 80723122) is 2,2-difluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine is CC1(CNCC(F)F)CCCS1.
What is the InChIKey of 2,2-difluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine?
The InChIKey is BDFBJCYWZWFJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NS/c1-8(3-2-4-12-8)6-11-5-7(9)10/h7,11H,2-6H2,1H3.
What are the key properties of 2,2-difluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine?
2,2-difluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine has a molecular weight of 195.28 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 80723122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).