N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(tetrazol-1-yl)acetamide

C7H11F2N5O2 — CID 107483157

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)N(CCO)CC(F)F
InChIInChI=1S/C7H11F2N5O2/c8-6(9)3-13(1-2-15)7(16)4-14-5-10-11-12-14/h5-6,15H,1-4H2
InChIKeyMQIGIQIBODKMBN-UHFFFAOYSA-N
MW235.19 g/mol
LogP-1.24
Rot. Bonds6

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(tetrazol-1-yl)acetamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(tetrazol-1-yl)acetamide (PubChem CID 107483157) has the molecular formula C7H11F2N5O2 and a molecular weight of 235.19 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(tetrazol-1-yl)acetamide
PubChem CID107483157
Molecular FormulaC7H11F2N5O2
Molecular Weight235.19 g/mol
Exact Mass235.09
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)N(CCO)CC(F)F
InChIInChI=1S/C7H11F2N5O2/c8-6(9)3-13(1-2-15)7(16)4-14-5-10-11-12-14/h5-6,15H,1-4H2
InChIKeyMQIGIQIBODKMBN-UHFFFAOYSA-N
XLogP-1.24
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.19
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(tetrazol-1-yl)acetamide (CID 107483157) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(tetrazol-1-yl)acetamide?
The InChIKey is MQIGIQIBODKMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N5O2/c8-6(9)3-13(1-2-15)7(16)4-14-5-10-11-12-14/h5-6,15H,1-4H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(tetrazol-1-yl)acetamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(tetrazol-1-yl)acetamide has a molecular weight of 235.19 g/mol, XLogP of -1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 107483157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).