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

C8H15F2NS — CID 107295327

IUPAC1,1-difluoro-N-(thiolan-3-ylmethyl)propan-2-amine
SMILESCC(NCC1CCSC1)C(F)F
InChIInChI=1S/C8H15F2NS/c1-6(8(9)10)11-4-7-2-3-12-5-7/h6-8,11H,2-5H2,1H3
InChIKeyJUKCCBPKCOQPHQ-UHFFFAOYSA-N
MW195.28 g/mol
LogP1.98
Rot. Bonds4

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

1,1-difluoro-N-(thiolan-3-ylmethyl)propan-2-amine (PubChem CID 107295327) has the molecular formula C8H15F2NS and a molecular weight of 195.28 g/mol. Its IUPAC name is 1,1-difluoro-N-(thiolan-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N-(thiolan-3-ylmethyl)propan-2-amine
PubChem CID107295327
Molecular FormulaC8H15F2NS
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC Name1,1-difluoro-N-(thiolan-3-ylmethyl)propan-2-amine
SMILESCC(NCC1CCSC1)C(F)F
InChIInChI=1S/C8H15F2NS/c1-6(8(9)10)11-4-7-2-3-12-5-7/h6-8,11H,2-5H2,1H3
InChIKeyJUKCCBPKCOQPHQ-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

2,4-Dimethyl-5-(trifluoromethyl)-1,3-thiazolidine
CID 130205391
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
(2R)-3-methyl-N-[(1R)-2,2,2-trifluoro-1-methylsulfanylethyl]butan-2-amine
CID 166766956
N-(2,2,2-Trifluoroethyl)tetrahydrothiophen-3-amine
CID 24705029
N-(3,3,3-trifluoropropyl)thiolan-3-amine
CID 63226293
2,2,2-trifluoro-N-(thiolan-3-ylmethyl)ethanamine
CID 64166226
N-ethyl-1-ethylsulfanyl-5,5,5-trifluoropentan-2-amine
CID 65127530
1-ethylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine
CID 65128350
N-ethyl-5,5,5-trifluoro-1-propylsulfanylpentan-2-amine
CID 65128747
5,5,5-trifluoro-N-propyl-1-propylsulfanylpentan-2-amine
CID 65128872

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(thiolan-3-ylmethyl)propan-2-amine?
The IUPAC name of 1,1-difluoro-N-(thiolan-3-ylmethyl)propan-2-amine (CID 107295327) is 1,1-difluoro-N-(thiolan-3-ylmethyl)propan-2-amine.
What is the SMILES notation for 1,1-difluoro-N-(thiolan-3-ylmethyl)propan-2-amine?
The canonical SMILES for 1,1-difluoro-N-(thiolan-3-ylmethyl)propan-2-amine is CC(NCC1CCSC1)C(F)F.
What is the InChIKey of 1,1-difluoro-N-(thiolan-3-ylmethyl)propan-2-amine?
The InChIKey is JUKCCBPKCOQPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NS/c1-6(8(9)10)11-4-7-2-3-12-5-7/h6-8,11H,2-5H2,1H3.
What are the key properties of 1,1-difluoro-N-(thiolan-3-ylmethyl)propan-2-amine?
1,1-difluoro-N-(thiolan-3-ylmethyl)propan-2-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 1,1-difluoro-N-(thiolan-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 107295327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).