3-(1,1-difluoropropan-2-ylamino)-2-methylsulfanylbutan-1-ol

C8H17F2NOS — CID 106158820

IUPAC3-(1,1-difluoropropan-2-ylamino)-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)NC(C)C(F)F
InChIInChI=1S/C8H17F2NOS/c1-5(7(4-12)13-3)11-6(2)8(9)10/h5-8,11-12H,4H2,1-3H3
InChIKeyHVGNTURIWUXHHG-UHFFFAOYSA-N
MW213.29 g/mol
LogP1.34
Rot. Bonds6

About 3-(1,1-difluoropropan-2-ylamino)-2-methylsulfanylbutan-1-ol

3-(1,1-difluoropropan-2-ylamino)-2-methylsulfanylbutan-1-ol (PubChem CID 106158820) has the molecular formula C8H17F2NOS and a molecular weight of 213.29 g/mol. Its IUPAC name is 3-(1,1-difluoropropan-2-ylamino)-2-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-(1,1-difluoropropan-2-ylamino)-2-methylsulfanylbutan-1-ol
PubChem CID106158820
Molecular FormulaC8H17F2NOS
Molecular Weight213.29 g/mol
Exact Mass213.10
IUPAC Name3-(1,1-difluoropropan-2-ylamino)-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)NC(C)C(F)F
InChIInChI=1S/C8H17F2NOS/c1-5(7(4-12)13-3)11-6(2)8(9)10/h5-8,11-12H,4H2,1-3H3
InChIKeyHVGNTURIWUXHHG-UHFFFAOYSA-N
XLogP1.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoropropan-2-ylamino)-2-methylsulfanylbutan-1-ol?
The IUPAC name of 3-(1,1-difluoropropan-2-ylamino)-2-methylsulfanylbutan-1-ol (CID 106158820) is 3-(1,1-difluoropropan-2-ylamino)-2-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-(1,1-difluoropropan-2-ylamino)-2-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-(1,1-difluoropropan-2-ylamino)-2-methylsulfanylbutan-1-ol is CSC(CO)C(C)NC(C)C(F)F.
What is the InChIKey of 3-(1,1-difluoropropan-2-ylamino)-2-methylsulfanylbutan-1-ol?
The InChIKey is HVGNTURIWUXHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NOS/c1-5(7(4-12)13-3)11-6(2)8(9)10/h5-8,11-12H,4H2,1-3H3.
What are the key properties of 3-(1,1-difluoropropan-2-ylamino)-2-methylsulfanylbutan-1-ol?
3-(1,1-difluoropropan-2-ylamino)-2-methylsulfanylbutan-1-ol has a molecular weight of 213.29 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoropropan-2-ylamino)-2-methylsulfanylbutan-1-ol is sourced from PubChem (CID 106158820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).