N-[[4-(fluoromethyl)oxan-4-yl]methyl]butanamide

C11H20FNO2 — CID 166245556

IUPACN-[[4-(fluoromethyl)oxan-4-yl]methyl]butanamide
SMILESCCCC(=O)NCC1(CF)CCOCC1
InChIInChI=1S/C11H20FNO2/c1-2-3-10(14)13-9-11(8-12)4-6-15-7-5-11/h2-9H2,1H3,(H,13,14)
InChIKeyHHEVBDOUYSYSBL-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.67
Rot. Bonds5

About N-[[4-(fluoromethyl)oxan-4-yl]methyl]butanamide

N-[[4-(fluoromethyl)oxan-4-yl]methyl]butanamide (PubChem CID 166245556) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is N-[[4-(fluoromethyl)oxan-4-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[4-(fluoromethyl)oxan-4-yl]methyl]butanamide
PubChem CID166245556
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC NameN-[[4-(fluoromethyl)oxan-4-yl]methyl]butanamide
SMILESCCCC(=O)NCC1(CF)CCOCC1
InChIInChI=1S/C11H20FNO2/c1-2-3-10(14)13-9-11(8-12)4-6-15-7-5-11/h2-9H2,1H3,(H,13,14)
InChIKeyHHEVBDOUYSYSBL-UHFFFAOYSA-N
XLogP1.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(fluoromethyl)oxan-4-yl]methyl]butanamide?
The IUPAC name of N-[[4-(fluoromethyl)oxan-4-yl]methyl]butanamide (CID 166245556) is N-[[4-(fluoromethyl)oxan-4-yl]methyl]butanamide.
What is the SMILES notation for N-[[4-(fluoromethyl)oxan-4-yl]methyl]butanamide?
The canonical SMILES for N-[[4-(fluoromethyl)oxan-4-yl]methyl]butanamide is CCCC(=O)NCC1(CF)CCOCC1.
What is the InChIKey of N-[[4-(fluoromethyl)oxan-4-yl]methyl]butanamide?
The InChIKey is HHEVBDOUYSYSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO2/c1-2-3-10(14)13-9-11(8-12)4-6-15-7-5-11/h2-9H2,1H3,(H,13,14).
What are the key properties of N-[[4-(fluoromethyl)oxan-4-yl]methyl]butanamide?
N-[[4-(fluoromethyl)oxan-4-yl]methyl]butanamide has a molecular weight of 217.28 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(fluoromethyl)oxan-4-yl]methyl]butanamide is sourced from PubChem (CID 166245556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).