[(4R)-2-tert-butyl-4-hydroxypyrrolidin-1-yl]-(4,4-difluorocyclohexyl)methanone

C15H25F2NO2 — CID 67953159

IUPAC[(4R)-2-tert-butyl-4-hydroxypyrrolidin-1-yl]-(4,4-difluorocyclohexyl)methanone
SMILESCC(C)(C)C1C[C@@H](O)CN1C(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C15H25F2NO2/c1-14(2,3)12-8-11(19)9-18(12)13(20)10-4-6-15(16,17)7-5-10/h10-12,19H,4-9H2,1-3H3/t11-,12?/m1/s1
InChIKeyFXKYFHSLLIRJIT-JHJMLUEUSA-N
MW289.37 g/mol
LogP2.82
Rot. Bonds1

About [(4R)-2-tert-butyl-4-hydroxypyrrolidin-1-yl]-(4,4-difluorocyclohexyl)methanone

[(4R)-2-tert-butyl-4-hydroxypyrrolidin-1-yl]-(4,4-difluorocyclohexyl)methanone (PubChem CID 67953159) has the molecular formula C15H25F2NO2 and a molecular weight of 289.37 g/mol. Its IUPAC name is [(4R)-2-tert-butyl-4-hydroxypyrrolidin-1-yl]-(4,4-difluorocyclohexyl)methanone.

Molecular Properties

Compound Name[(4R)-2-tert-butyl-4-hydroxypyrrolidin-1-yl]-(4,4-difluorocyclohexyl)methanone
PubChem CID67953159
Molecular FormulaC15H25F2NO2
Molecular Weight289.37 g/mol
Exact Mass289.19
IUPAC Name[(4R)-2-tert-butyl-4-hydroxypyrrolidin-1-yl]-(4,4-difluorocyclohexyl)methanone
SMILESCC(C)(C)C1C[C@@H](O)CN1C(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C15H25F2NO2/c1-14(2,3)12-8-11(19)9-18(12)13(20)10-4-6-15(16,17)7-5-10/h10-12,19H,4-9H2,1-3H3/t11-,12?/m1/s1
InChIKeyFXKYFHSLLIRJIT-JHJMLUEUSA-N
XLogP2.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(4R)-2-tert-butyl-4-hydroxypyrrolidin-1-yl]-(4,4-difluorocyclohexyl)methanone?
The IUPAC name of [(4R)-2-tert-butyl-4-hydroxypyrrolidin-1-yl]-(4,4-difluorocyclohexyl)methanone (CID 67953159) is [(4R)-2-tert-butyl-4-hydroxypyrrolidin-1-yl]-(4,4-difluorocyclohexyl)methanone.
What is the SMILES notation for [(4R)-2-tert-butyl-4-hydroxypyrrolidin-1-yl]-(4,4-difluorocyclohexyl)methanone?
The canonical SMILES for [(4R)-2-tert-butyl-4-hydroxypyrrolidin-1-yl]-(4,4-difluorocyclohexyl)methanone is CC(C)(C)C1C[C@@H](O)CN1C(=O)C1CCC(F)(F)CC1.
What is the InChIKey of [(4R)-2-tert-butyl-4-hydroxypyrrolidin-1-yl]-(4,4-difluorocyclohexyl)methanone?
The InChIKey is FXKYFHSLLIRJIT-JHJMLUEUSA-N. The full InChI is InChI=1S/C15H25F2NO2/c1-14(2,3)12-8-11(19)9-18(12)13(20)10-4-6-15(16,17)7-5-10/h10-12,19H,4-9H2,1-3H3/t11-,12?/m1/s1.
What are the key properties of [(4R)-2-tert-butyl-4-hydroxypyrrolidin-1-yl]-(4,4-difluorocyclohexyl)methanone?
[(4R)-2-tert-butyl-4-hydroxypyrrolidin-1-yl]-(4,4-difluorocyclohexyl)methanone has a molecular weight of 289.37 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-2-tert-butyl-4-hydroxypyrrolidin-1-yl]-(4,4-difluorocyclohexyl)methanone is sourced from PubChem (CID 67953159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).