(4-tert-butylcyclohexyl)-(5-fluoro-3-pyridinyl)methanone

C16H22FNO — CID 65401097

IUPAC(4-tert-butylcyclohexyl)-(5-fluoro-3-pyridinyl)methanone
SMILESCC(C)(C)C1CCC(C(=O)c2cncc(F)c2)CC1
InChIInChI=1S/C16H22FNO/c1-16(2,3)13-6-4-11(5-7-13)15(19)12-8-14(17)10-18-9-12/h8-11,13H,4-7H2,1-3H3
InChIKeyJWJYEQLKYIJSPP-UHFFFAOYSA-N
MW263.36 g/mol
LogP4.26
Rot. Bonds2

About (4-tert-butylcyclohexyl)-(5-fluoro-3-pyridinyl)methanone

(4-tert-butylcyclohexyl)-(5-fluoro-3-pyridinyl)methanone (PubChem CID 65401097) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl)-(5-fluoro-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl)-(5-fluoro-3-pyridinyl)methanone
PubChem CID65401097
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name(4-tert-butylcyclohexyl)-(5-fluoro-3-pyridinyl)methanone
SMILESCC(C)(C)C1CCC(C(=O)c2cncc(F)c2)CC1
InChIInChI=1S/C16H22FNO/c1-16(2,3)13-6-4-11(5-7-13)15(19)12-8-14(17)10-18-9-12/h8-11,13H,4-7H2,1-3H3
InChIKeyJWJYEQLKYIJSPP-UHFFFAOYSA-N
XLogP4.26
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl)-(5-fluoro-3-pyridinyl)methanone?
The IUPAC name of (4-tert-butylcyclohexyl)-(5-fluoro-3-pyridinyl)methanone (CID 65401097) is (4-tert-butylcyclohexyl)-(5-fluoro-3-pyridinyl)methanone.
What is the SMILES notation for (4-tert-butylcyclohexyl)-(5-fluoro-3-pyridinyl)methanone?
The canonical SMILES for (4-tert-butylcyclohexyl)-(5-fluoro-3-pyridinyl)methanone is CC(C)(C)C1CCC(C(=O)c2cncc(F)c2)CC1.
What is the InChIKey of (4-tert-butylcyclohexyl)-(5-fluoro-3-pyridinyl)methanone?
The InChIKey is JWJYEQLKYIJSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-16(2,3)13-6-4-11(5-7-13)15(19)12-8-14(17)10-18-9-12/h8-11,13H,4-7H2,1-3H3.
What are the key properties of (4-tert-butylcyclohexyl)-(5-fluoro-3-pyridinyl)methanone?
(4-tert-butylcyclohexyl)-(5-fluoro-3-pyridinyl)methanone has a molecular weight of 263.36 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl)-(5-fluoro-3-pyridinyl)methanone is sourced from PubChem (CID 65401097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).