1-cyano-N-(4-fluoro-1-hydroxybutan-2-yl)cyclopentane-1-carboxamide

C11H17FN2O2 — CID 154865505

IUPAC1-cyano-N-(4-fluoro-1-hydroxybutan-2-yl)cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NC(CO)CCF)CCCC1
InChIInChI=1S/C11H17FN2O2/c12-6-3-9(7-15)14-10(16)11(8-13)4-1-2-5-11/h9,15H,1-7H2,(H,14,16)
InChIKeyDZESQHFERVYRSK-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.91
Rot. Bonds5

About 1-cyano-N-(4-fluoro-1-hydroxybutan-2-yl)cyclopentane-1-carboxamide

1-cyano-N-(4-fluoro-1-hydroxybutan-2-yl)cyclopentane-1-carboxamide (PubChem CID 154865505) has the molecular formula C11H17FN2O2 and a molecular weight of 228.27 g/mol. Its IUPAC name is 1-cyano-N-(4-fluoro-1-hydroxybutan-2-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(4-fluoro-1-hydroxybutan-2-yl)cyclopentane-1-carboxamide
PubChem CID154865505
Molecular FormulaC11H17FN2O2
Molecular Weight228.27 g/mol
Exact Mass228.13
IUPAC Name1-cyano-N-(4-fluoro-1-hydroxybutan-2-yl)cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NC(CO)CCF)CCCC1
InChIInChI=1S/C11H17FN2O2/c12-6-3-9(7-15)14-10(16)11(8-13)4-1-2-5-11/h9,15H,1-7H2,(H,14,16)
InChIKeyDZESQHFERVYRSK-UHFFFAOYSA-N
XLogP0.91
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(4-fluoro-1-hydroxybutan-2-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-(4-fluoro-1-hydroxybutan-2-yl)cyclopentane-1-carboxamide (CID 154865505) is 1-cyano-N-(4-fluoro-1-hydroxybutan-2-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(4-fluoro-1-hydroxybutan-2-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(4-fluoro-1-hydroxybutan-2-yl)cyclopentane-1-carboxamide is N#CC1(C(=O)NC(CO)CCF)CCCC1.
What is the InChIKey of 1-cyano-N-(4-fluoro-1-hydroxybutan-2-yl)cyclopentane-1-carboxamide?
The InChIKey is DZESQHFERVYRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2/c12-6-3-9(7-15)14-10(16)11(8-13)4-1-2-5-11/h9,15H,1-7H2,(H,14,16).
What are the key properties of 1-cyano-N-(4-fluoro-1-hydroxybutan-2-yl)cyclopentane-1-carboxamide?
1-cyano-N-(4-fluoro-1-hydroxybutan-2-yl)cyclopentane-1-carboxamide has a molecular weight of 228.27 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(4-fluoro-1-hydroxybutan-2-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 154865505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).