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

C7H13F2NS — CID 105439599

IUPAC1,1-difluoro-1-(thiolan-3-yl)propan-2-amine
SMILESCC(N)C(F)(F)C1CCSC1
InChIInChI=1S/C7H13F2NS/c1-5(10)7(8,9)6-2-3-11-4-6/h5-6H,2-4,10H2,1H3
InChIKeyZEGICPMVYKJHAX-UHFFFAOYSA-N
MW181.25 g/mol
LogP1.72
Rot. Bonds2

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

1,1-difluoro-1-(thiolan-3-yl)propan-2-amine (PubChem CID 105439599) has the molecular formula C7H13F2NS and a molecular weight of 181.25 g/mol. Its IUPAC name is 1,1-difluoro-1-(thiolan-3-yl)propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-1-(thiolan-3-yl)propan-2-amine
PubChem CID105439599
Molecular FormulaC7H13F2NS
Molecular Weight181.25 g/mol
Exact Mass181.07
IUPAC Name1,1-difluoro-1-(thiolan-3-yl)propan-2-amine
SMILESCC(N)C(F)(F)C1CCSC1
InChIInChI=1S/C7H13F2NS/c1-5(10)7(8,9)6-2-3-11-4-6/h5-6H,2-4,10H2,1H3
InChIKeyZEGICPMVYKJHAX-UHFFFAOYSA-N
XLogP1.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-1,1-difluoropropan-2-amine
CID 105432155
1,1-difluoro-1-(thiolan-3-yl)propan-2-one
CID 105438720
1,1-difluoro-1-(oxan-3-yl)propan-2-amine
CID 105437927
N-(1,1,1-trifluoropropan-2-yl)thiolan-3-amine
CID 130708891
1-N,2,2-trimethyl-1-N-(thiolan-3-yl)butane-1,3-diamine
CID 66454701
2-(thian-3-yl)propan-2-amine
CID 82415632
1-(thian-4-yl)ethanamine
CID 82417750
3-methyl-1-(thiolan-3-yl)butan-1-amine
CID 105083374
3-(1-chloro-2-methylbutan-2-yl)thiolane
CID 165443606
1-N,3,3-trimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine
CID 112555920
1,1-difluoro-1-(thian-4-yl)propan-2-one
CID 105448164
3-tert-butylthiane
CID 89424239

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-1-(thiolan-3-yl)propan-2-amine?
The IUPAC name of 1,1-difluoro-1-(thiolan-3-yl)propan-2-amine (CID 105439599) is 1,1-difluoro-1-(thiolan-3-yl)propan-2-amine.
What is the SMILES notation for 1,1-difluoro-1-(thiolan-3-yl)propan-2-amine?
The canonical SMILES for 1,1-difluoro-1-(thiolan-3-yl)propan-2-amine is CC(N)C(F)(F)C1CCSC1.
What is the InChIKey of 1,1-difluoro-1-(thiolan-3-yl)propan-2-amine?
The InChIKey is ZEGICPMVYKJHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NS/c1-5(10)7(8,9)6-2-3-11-4-6/h5-6H,2-4,10H2,1H3.
What are the key properties of 1,1-difluoro-1-(thiolan-3-yl)propan-2-amine?
1,1-difluoro-1-(thiolan-3-yl)propan-2-amine has a molecular weight of 181.25 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-(thiolan-3-yl)propan-2-amine is sourced from PubChem (CID 105439599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).