4,4-difluoro-3-(thiolan-3-yl)butan-1-amine

C8H15F2NS — CID 115020351

IUPAC4,4-difluoro-3-(thiolan-3-yl)butan-1-amine
SMILESNCCC(C(F)F)C1CCSC1
InChIInChI=1S/C8H15F2NS/c9-8(10)7(1-3-11)6-2-4-12-5-6/h6-8H,1-5,11H2
InChIKeyZYUXLRDQOGGINN-UHFFFAOYSA-N
MW195.28 g/mol
LogP1.97
Rot. Bonds4

About 4,4-difluoro-3-(thiolan-3-yl)butan-1-amine

4,4-difluoro-3-(thiolan-3-yl)butan-1-amine (PubChem CID 115020351) has the molecular formula C8H15F2NS and a molecular weight of 195.28 g/mol. Its IUPAC name is 4,4-difluoro-3-(thiolan-3-yl)butan-1-amine.

Molecular Properties

Compound Name4,4-difluoro-3-(thiolan-3-yl)butan-1-amine
PubChem CID115020351
Molecular FormulaC8H15F2NS
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC Name4,4-difluoro-3-(thiolan-3-yl)butan-1-amine
SMILESNCCC(C(F)F)C1CCSC1
InChIInChI=1S/C8H15F2NS/c9-8(10)7(1-3-11)6-2-4-12-5-6/h6-8H,1-5,11H2
InChIKeyZYUXLRDQOGGINN-UHFFFAOYSA-N
XLogP1.97
TPSA26.02 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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-Dimethylthiolan-2-yl)-2,2,2-trifluoroethanamine
CID 163576724
[(4S)-3,4-dimethyl-5-(2,2,2-trifluoroethyl)thiolan-2-yl]methanamine
CID 173844600
2-(Cyclopentylmethylsulfanyl)-3,3,3-trifluoropropan-1-amine
CID 63119330
3-(Cyclopentylmethylsulfanyl)-4,4,4-trifluorobutan-1-amine
CID 63119757
3,3,3-Trifluoro-2-(thian-4-yl)propan-1-amine
CID 83821290
[4-(Trifluoromethyl)thiolan-3-yl]methanamine
CID 84022936
2-(4-Fluorothiolan-3-yl)ethanamine
CID 84763159
2-(4,4-Difluorothiolan-3-yl)ethanamine
CID 84765255
2-(4,4-Difluorothian-3-yl)ethanamine
CID 84768506
[4-(2,2,2-Trifluoroethyl)thiolan-3-yl]methanamine
CID 84775324
[4-(2,2,2-Trifluoroethyl)thian-3-yl]methanamine
CID 84782840
[3-(2,2,2-Trifluoroethyl)thian-4-yl]methanamine
CID 84782841

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-(thiolan-3-yl)butan-1-amine?
The IUPAC name of 4,4-difluoro-3-(thiolan-3-yl)butan-1-amine (CID 115020351) is 4,4-difluoro-3-(thiolan-3-yl)butan-1-amine.
What is the SMILES notation for 4,4-difluoro-3-(thiolan-3-yl)butan-1-amine?
The canonical SMILES for 4,4-difluoro-3-(thiolan-3-yl)butan-1-amine is NCCC(C(F)F)C1CCSC1.
What is the InChIKey of 4,4-difluoro-3-(thiolan-3-yl)butan-1-amine?
The InChIKey is ZYUXLRDQOGGINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NS/c9-8(10)7(1-3-11)6-2-4-12-5-6/h6-8H,1-5,11H2.
What are the key properties of 4,4-difluoro-3-(thiolan-3-yl)butan-1-amine?
4,4-difluoro-3-(thiolan-3-yl)butan-1-amine has a molecular weight of 195.28 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-(thiolan-3-yl)butan-1-amine is sourced from PubChem (CID 115020351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).