N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide

C9H14F2N4O2 — CID 107483091

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide
SMILESO=C(CCn1ccnn1)N(CCO)CC(F)F
InChIInChI=1S/C9H14F2N4O2/c10-8(11)7-14(5-6-16)9(17)1-3-15-4-2-12-13-15/h2,4,8,16H,1,3,5-7H2
InChIKeyRDTVELPZQNSQQM-UHFFFAOYSA-N
MW248.23 g/mol
LogP-0.25
Rot. Bonds7

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide (PubChem CID 107483091) has the molecular formula C9H14F2N4O2 and a molecular weight of 248.23 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide
PubChem CID107483091
Molecular FormulaC9H14F2N4O2
Molecular Weight248.23 g/mol
Exact Mass248.11
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide
SMILESO=C(CCn1ccnn1)N(CCO)CC(F)F
InChIInChI=1S/C9H14F2N4O2/c10-8(11)7-14(5-6-16)9(17)1-3-15-4-2-12-13-15/h2,4,8,16H,1,3,5-7H2
InChIKeyRDTVELPZQNSQQM-UHFFFAOYSA-N
XLogP-0.25
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide (CID 107483091) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide is O=C(CCn1ccnn1)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide?
The InChIKey is RDTVELPZQNSQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4O2/c10-8(11)7-14(5-6-16)9(17)1-3-15-4-2-12-13-15/h2,4,8,16H,1,3,5-7H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide has a molecular weight of 248.23 g/mol, XLogP of -0.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 107483091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).