2,2,2-trifluoro-N-[(4-methyloxan-4-yl)methyl]acetamide

C9H14F3NO2 — CID 103742631

IUPAC2,2,2-trifluoro-N-[(4-methyloxan-4-yl)methyl]acetamide
SMILESCC1(CNC(=O)C(F)(F)F)CCOCC1
InChIInChI=1S/C9H14F3NO2/c1-8(2-4-15-5-3-8)6-13-7(14)9(10,11)12/h2-6H2,1H3,(H,13,14)
InChIKeyQKVRJNGTXNHDPN-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.48
Rot. Bonds2

About 2,2,2-trifluoro-N-[(4-methyloxan-4-yl)methyl]acetamide

2,2,2-trifluoro-N-[(4-methyloxan-4-yl)methyl]acetamide (PubChem CID 103742631) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(4-methyloxan-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(4-methyloxan-4-yl)methyl]acetamide
PubChem CID103742631
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name2,2,2-trifluoro-N-[(4-methyloxan-4-yl)methyl]acetamide
SMILESCC1(CNC(=O)C(F)(F)F)CCOCC1
InChIInChI=1S/C9H14F3NO2/c1-8(2-4-15-5-3-8)6-13-7(14)9(10,11)12/h2-6H2,1H3,(H,13,14)
InChIKeyQKVRJNGTXNHDPN-UHFFFAOYSA-N
XLogP1.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(4-methyloxan-4-yl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(4-methyloxan-4-yl)methyl]acetamide (CID 103742631) is 2,2,2-trifluoro-N-[(4-methyloxan-4-yl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(4-methyloxan-4-yl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(4-methyloxan-4-yl)methyl]acetamide is CC1(CNC(=O)C(F)(F)F)CCOCC1.
What is the InChIKey of 2,2,2-trifluoro-N-[(4-methyloxan-4-yl)methyl]acetamide?
The InChIKey is QKVRJNGTXNHDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-8(2-4-15-5-3-8)6-13-7(14)9(10,11)12/h2-6H2,1H3,(H,13,14).
What are the key properties of 2,2,2-trifluoro-N-[(4-methyloxan-4-yl)methyl]acetamide?
2,2,2-trifluoro-N-[(4-methyloxan-4-yl)methyl]acetamide has a molecular weight of 225.21 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(4-methyloxan-4-yl)methyl]acetamide is sourced from PubChem (CID 103742631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).