2-fluoro-2-methyl-1-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-1-one

C9H14FN5O — CID 167851854

IUPAC2-fluoro-2-methyl-1-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-1-one
SMILESCC(C)(F)C(=O)N1CCC(c2nn[nH]n2)C1
InChIInChI=1S/C9H14FN5O/c1-9(2,10)8(16)15-4-3-6(5-15)7-11-13-14-12-7/h6H,3-5H2,1-2H3,(H,11,12,13,14)
InChIKeyPRDZCBIXDPUVDN-UHFFFAOYSA-N
MW227.24 g/mol
LogP0.26
Rot. Bonds2

About 2-fluoro-2-methyl-1-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-1-one

2-fluoro-2-methyl-1-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 167851854) has the molecular formula C9H14FN5O and a molecular weight of 227.24 g/mol. Its IUPAC name is 2-fluoro-2-methyl-1-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-fluoro-2-methyl-1-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID167851854
Molecular FormulaC9H14FN5O
Molecular Weight227.24 g/mol
Exact Mass227.12
IUPAC Name2-fluoro-2-methyl-1-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-1-one
SMILESCC(C)(F)C(=O)N1CCC(c2nn[nH]n2)C1
InChIInChI=1S/C9H14FN5O/c1-9(2,10)8(16)15-4-3-6(5-15)7-11-13-14-12-7/h6H,3-5H2,1-2H3,(H,11,12,13,14)
InChIKeyPRDZCBIXDPUVDN-UHFFFAOYSA-N
XLogP0.26
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 154843219
[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone
CID 154847972
4-cyclohexyl-1-[(3S)-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 164639816
tert-butyl N-[1-[3-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]cyclobutyl]carbamate
CID 166299406
3-(2H-tetrazol-5-yl)azetidine-1-carboxylic acid
CID 67107417
2-tert-butyl-5-cyclopentyltetrazole;tert-butyl (3R)-3-(2H-tetrazol-5-yl)pyrrolidine-1-carboxylate;dichloromethane;2,2,2-trifluoroacetic acid
CID 162138299
[3-[4-(4-fluorophenoxy)phenyl]azetidin-1-yl]-[(3S)-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone
CID 175975479
tert-butyl N-[2-methyl-4-oxo-4-[3-(2H-tetrazol-5-yl)piperidin-1-yl]butan-2-yl]carbamate
CID 75387001
ethane;2-fluoro-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one
CID 177053865
(3R)-3-(2-fluorophenyl)-1-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]butan-1-one
CID 97086390
N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-3-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide
CID 166307982
(4-methylthiophen-3-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 75435150

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-1-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-fluoro-2-methyl-1-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-1-one (CID 167851854) is 2-fluoro-2-methyl-1-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-fluoro-2-methyl-1-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-fluoro-2-methyl-1-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-1-one is CC(C)(F)C(=O)N1CCC(c2nn[nH]n2)C1.
What is the InChIKey of 2-fluoro-2-methyl-1-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is PRDZCBIXDPUVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN5O/c1-9(2,10)8(16)15-4-3-6(5-15)7-11-13-14-12-7/h6H,3-5H2,1-2H3,(H,11,12,13,14).
What are the key properties of 2-fluoro-2-methyl-1-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-1-one?
2-fluoro-2-methyl-1-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 227.24 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-1-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 167851854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).