N-(3,3-difluoro-2-hydroxypropyl)-2-(thian-4-yl)acetamide

C10H17F2NO2S — CID 103769710

IUPACN-(3,3-difluoro-2-hydroxypropyl)-2-(thian-4-yl)acetamide
SMILESO=C(CC1CCSCC1)NCC(O)C(F)F
InChIInChI=1S/C10H17F2NO2S/c11-10(12)8(14)6-13-9(15)5-7-1-3-16-4-2-7/h7-8,10,14H,1-6H2,(H,13,15)
InChIKeyCCPNKBIOOUAUHY-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.26
Rot. Bonds5

About N-(3,3-difluoro-2-hydroxypropyl)-2-(thian-4-yl)acetamide

N-(3,3-difluoro-2-hydroxypropyl)-2-(thian-4-yl)acetamide (PubChem CID 103769710) has the molecular formula C10H17F2NO2S and a molecular weight of 253.31 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2-(thian-4-yl)acetamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-2-(thian-4-yl)acetamide
PubChem CID103769710
Molecular FormulaC10H17F2NO2S
Molecular Weight253.31 g/mol
Exact Mass253.09
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-2-(thian-4-yl)acetamide
SMILESO=C(CC1CCSCC1)NCC(O)C(F)F
InChIInChI=1S/C10H17F2NO2S/c11-10(12)8(14)6-13-9(15)5-7-1-3-16-4-2-7/h7-8,10,14H,1-6H2,(H,13,15)
InChIKeyCCPNKBIOOUAUHY-UHFFFAOYSA-N
XLogP1.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-(thian-4-yl)acetamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-(thian-4-yl)acetamide (CID 103769710) is N-(3,3-difluoro-2-hydroxypropyl)-2-(thian-4-yl)acetamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2-(thian-4-yl)acetamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2-(thian-4-yl)acetamide is O=C(CC1CCSCC1)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2-(thian-4-yl)acetamide?
The InChIKey is CCPNKBIOOUAUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2S/c11-10(12)8(14)6-13-9(15)5-7-1-3-16-4-2-7/h7-8,10,14H,1-6H2,(H,13,15).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2-(thian-4-yl)acetamide?
N-(3,3-difluoro-2-hydroxypropyl)-2-(thian-4-yl)acetamide has a molecular weight of 253.31 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-2-(thian-4-yl)acetamide is sourced from PubChem (CID 103769710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).