2-fluoro-2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide

C7H12FN5O — CID 130562017

IUPAC2-fluoro-2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
SMILESCC(NC(=O)C(C)(C)F)c1nn[nH]n1
InChIInChI=1S/C7H12FN5O/c1-4(5-10-12-13-11-5)9-6(14)7(2,3)8/h4H,1-3H3,(H,9,14)(H,10,11,12,13)
InChIKeyBPKXPHAYEAKECH-UHFFFAOYSA-N
MW201.20 g/mol
LogP0.12
Rot. Bonds3

About 2-fluoro-2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide

2-fluoro-2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide (PubChem CID 130562017) has the molecular formula C7H12FN5O and a molecular weight of 201.20 g/mol. Its IUPAC name is 2-fluoro-2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-fluoro-2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
PubChem CID130562017
Molecular FormulaC7H12FN5O
Molecular Weight201.20 g/mol
Exact Mass201.10
IUPAC Name2-fluoro-2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
SMILESCC(NC(=O)C(C)(C)F)c1nn[nH]n1
InChIInChI=1S/C7H12FN5O/c1-4(5-10-12-13-11-5)9-6(14)7(2,3)8/h4H,1-3H3,(H,9,14)(H,10,11,12,13)
InChIKeyBPKXPHAYEAKECH-UHFFFAOYSA-N
XLogP0.12
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 78977288
N-cyclopropyl-2-(2H-tetrazol-5-yl)acetamide
CID 18618243
N-butyl-2-(2H-tetrazol-5-yl)acetamide
CID 110496410
3,3,3-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 61852334
2,2,2-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 61852902
3,3,3-trifluoro-N-(2H-tetrazol-5-ylmethyl)propanamide
CID 61854548
4,4,4-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]butanamide
CID 65711770
4,4,4-trifluoro-N-(2H-tetrazol-5-ylmethyl)butanamide
CID 65711771
N-[1-(2H-tetrazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 79261784
2-amino-3,3,3-trifluoro-2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 79810658
2-amino-3,3,3-trifluoro-2-methyl-N-(2H-tetrazol-5-ylmethyl)propanamide
CID 79810769
3,3,3-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]-2-(trifluoromethyl)propanamide
CID 103310275

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide?
The IUPAC name of 2-fluoro-2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide (CID 130562017) is 2-fluoro-2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 2-fluoro-2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide?
The canonical SMILES for 2-fluoro-2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide is CC(NC(=O)C(C)(C)F)c1nn[nH]n1.
What is the InChIKey of 2-fluoro-2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide?
The InChIKey is BPKXPHAYEAKECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN5O/c1-4(5-10-12-13-11-5)9-6(14)7(2,3)8/h4H,1-3H3,(H,9,14)(H,10,11,12,13).
What are the key properties of 2-fluoro-2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide?
2-fluoro-2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide has a molecular weight of 201.20 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 130562017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).