2,2-difluoro-N-methyl-3-(thiolan-3-yl)propan-1-amine

C8H15F2NS — CID 105449352

IUPAC2,2-difluoro-N-methyl-3-(thiolan-3-yl)propan-1-amine
SMILESCNCC(F)(F)CC1CCSC1
InChIInChI=1S/C8H15F2NS/c1-11-6-8(9,10)4-7-2-3-12-5-7/h7,11H,2-6H2,1H3
InChIKeyHXIRRKSXMMUUTK-UHFFFAOYSA-N
MW195.28 g/mol
LogP1.98
Rot. Bonds4

About 2,2-difluoro-N-methyl-3-(thiolan-3-yl)propan-1-amine

2,2-difluoro-N-methyl-3-(thiolan-3-yl)propan-1-amine (PubChem CID 105449352) has the molecular formula C8H15F2NS and a molecular weight of 195.28 g/mol. Its IUPAC name is 2,2-difluoro-N-methyl-3-(thiolan-3-yl)propan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-N-methyl-3-(thiolan-3-yl)propan-1-amine
PubChem CID105449352
Molecular FormulaC8H15F2NS
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC Name2,2-difluoro-N-methyl-3-(thiolan-3-yl)propan-1-amine
SMILESCNCC(F)(F)CC1CCSC1
InChIInChI=1S/C8H15F2NS/c1-11-6-8(9,10)4-7-2-3-12-5-7/h7,11H,2-6H2,1H3
InChIKeyHXIRRKSXMMUUTK-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-1-(thiolan-3-yl)propan-2-amine
CID 84654746
3-(2,2-dimethylpropyl)thiolane
CID 58797584
N-methyl-1-(thiolan-3-yl)methanamine;molecular hydrogen
CID 145167793
N-methyl-1-[2-(thiolan-3-yl)ethyl]cyclopropan-1-amine
CID 84660283
2,2-dimethyl-N-(thiolan-3-ylmethyl)propan-1-amine
CID 107131923
(Z)-N-methyl-4-(thiolan-3-yl)but-2-en-1-amine
CID 117265727
2,2-difluoro-2-phenyl-N-(thiolan-3-ylmethyl)ethanamine
CID 107166921
N-(thiolan-3-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210917
N-methyl-1-[2-(thian-4-yl)ethyl]cyclopropan-1-amine
CID 84669062
1-(methylamino)-N-(thiolan-3-ylmethyl)propane-2-sulfonamide
CID 106089112
1,1-dimethyl-2-(thiolan-3-ylmethyl)hydrazine
CID 107132348
(3S)-3-(2-methylpropyl)thiolane
CID 89392788

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-methyl-3-(thiolan-3-yl)propan-1-amine?
The IUPAC name of 2,2-difluoro-N-methyl-3-(thiolan-3-yl)propan-1-amine (CID 105449352) is 2,2-difluoro-N-methyl-3-(thiolan-3-yl)propan-1-amine.
What is the SMILES notation for 2,2-difluoro-N-methyl-3-(thiolan-3-yl)propan-1-amine?
The canonical SMILES for 2,2-difluoro-N-methyl-3-(thiolan-3-yl)propan-1-amine is CNCC(F)(F)CC1CCSC1.
What is the InChIKey of 2,2-difluoro-N-methyl-3-(thiolan-3-yl)propan-1-amine?
The InChIKey is HXIRRKSXMMUUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NS/c1-11-6-8(9,10)4-7-2-3-12-5-7/h7,11H,2-6H2,1H3.
What are the key properties of 2,2-difluoro-N-methyl-3-(thiolan-3-yl)propan-1-amine?
2,2-difluoro-N-methyl-3-(thiolan-3-yl)propan-1-amine has a molecular weight of 195.28 g/mol, XLogP of 1.98, 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-methyl-3-(thiolan-3-yl)propan-1-amine is sourced from PubChem (CID 105449352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).