(2R)-2-[2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethyl]cyclopentan-1-one

C15H17FN4O — CID 164630897

IUPAC(2R)-2-[2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethyl]cyclopentan-1-one
SMILESCc1cc(-c2nnn(CC[C@H]3CCCC3=O)n2)ccc1F
InChIInChI=1S/C15H17FN4O/c1-10-9-12(5-6-13(10)16)15-17-19-20(18-15)8-7-11-3-2-4-14(11)21/h5-6,9,11H,2-4,7-8H2,1H3/t11-/m1/s1
InChIKeyLSQOMYHTIMKQRQ-LLVKDONJSA-N
MW288.33 g/mol
LogP2.55
Rot. Bonds4

About (2R)-2-[2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethyl]cyclopentan-1-one

(2R)-2-[2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethyl]cyclopentan-1-one (PubChem CID 164630897) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is (2R)-2-[2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethyl]cyclopentan-1-one.

Molecular Properties

Compound Name(2R)-2-[2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethyl]cyclopentan-1-one
PubChem CID164630897
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name(2R)-2-[2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethyl]cyclopentan-1-one
SMILESCc1cc(-c2nnn(CC[C@H]3CCCC3=O)n2)ccc1F
InChIInChI=1S/C15H17FN4O/c1-10-9-12(5-6-13(10)16)15-17-19-20(18-15)8-7-11-3-2-4-14(11)21/h5-6,9,11H,2-4,7-8H2,1H3/t11-/m1/s1
InChIKeyLSQOMYHTIMKQRQ-LLVKDONJSA-N
XLogP2.55
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethyl]cyclopentan-1-one?
The IUPAC name of (2R)-2-[2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethyl]cyclopentan-1-one (CID 164630897) is (2R)-2-[2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethyl]cyclopentan-1-one.
What is the SMILES notation for (2R)-2-[2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethyl]cyclopentan-1-one?
The canonical SMILES for (2R)-2-[2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethyl]cyclopentan-1-one is Cc1cc(-c2nnn(CC[C@H]3CCCC3=O)n2)ccc1F.
What is the InChIKey of (2R)-2-[2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethyl]cyclopentan-1-one?
The InChIKey is LSQOMYHTIMKQRQ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-10-9-12(5-6-13(10)16)15-17-19-20(18-15)8-7-11-3-2-4-14(11)21/h5-6,9,11H,2-4,7-8H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-2-[2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethyl]cyclopentan-1-one?
(2R)-2-[2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethyl]cyclopentan-1-one has a molecular weight of 288.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethyl]cyclopentan-1-one is sourced from PubChem (CID 164630897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).