(2-butan-2-yl-5-fluorocyclohexyl)-(3-hydroxypyrrolidin-1-yl)methanone

C15H26FNO2 — CID 175488891

IUPAC(2-butan-2-yl-5-fluorocyclohexyl)-(3-hydroxypyrrolidin-1-yl)methanone
SMILESCCC(C)C1CCC(F)CC1C(=O)N1CCC(O)C1
InChIInChI=1S/C15H26FNO2/c1-3-10(2)13-5-4-11(16)8-14(13)15(19)17-7-6-12(18)9-17/h10-14,18H,3-9H2,1-2H3
InChIKeyXNXMKYKCFRGTGT-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.38
Rot. Bonds3

About (2-butan-2-yl-5-fluorocyclohexyl)-(3-hydroxypyrrolidin-1-yl)methanone

(2-butan-2-yl-5-fluorocyclohexyl)-(3-hydroxypyrrolidin-1-yl)methanone (PubChem CID 175488891) has the molecular formula C15H26FNO2 and a molecular weight of 271.38 g/mol. Its IUPAC name is (2-butan-2-yl-5-fluorocyclohexyl)-(3-hydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-butan-2-yl-5-fluorocyclohexyl)-(3-hydroxypyrrolidin-1-yl)methanone
PubChem CID175488891
Molecular FormulaC15H26FNO2
Molecular Weight271.38 g/mol
Exact Mass271.19
IUPAC Name(2-butan-2-yl-5-fluorocyclohexyl)-(3-hydroxypyrrolidin-1-yl)methanone
SMILESCCC(C)C1CCC(F)CC1C(=O)N1CCC(O)C1
InChIInChI=1S/C15H26FNO2/c1-3-10(2)13-5-4-11(16)8-14(13)15(19)17-7-6-12(18)9-17/h10-14,18H,3-9H2,1-2H3
InChIKeyXNXMKYKCFRGTGT-UHFFFAOYSA-N
XLogP2.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-butan-2-yl-5-fluorocyclohexyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The IUPAC name of (2-butan-2-yl-5-fluorocyclohexyl)-(3-hydroxypyrrolidin-1-yl)methanone (CID 175488891) is (2-butan-2-yl-5-fluorocyclohexyl)-(3-hydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-butan-2-yl-5-fluorocyclohexyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for (2-butan-2-yl-5-fluorocyclohexyl)-(3-hydroxypyrrolidin-1-yl)methanone is CCC(C)C1CCC(F)CC1C(=O)N1CCC(O)C1.
What is the InChIKey of (2-butan-2-yl-5-fluorocyclohexyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The InChIKey is XNXMKYKCFRGTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FNO2/c1-3-10(2)13-5-4-11(16)8-14(13)15(19)17-7-6-12(18)9-17/h10-14,18H,3-9H2,1-2H3.
What are the key properties of (2-butan-2-yl-5-fluorocyclohexyl)-(3-hydroxypyrrolidin-1-yl)methanone?
(2-butan-2-yl-5-fluorocyclohexyl)-(3-hydroxypyrrolidin-1-yl)methanone has a molecular weight of 271.38 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butan-2-yl-5-fluorocyclohexyl)-(3-hydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 175488891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).