3,3,3-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide

C10H16F3NO3 — CID 114951347

IUPAC3,3,3-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide
SMILESCN(CC1(O)CCOCC1)C(=O)CC(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-14(8(15)6-10(11,12)13)7-9(16)2-4-17-5-3-9/h16H,2-7H2,1H3
InChIKeyQRAPOLKIXVBGSV-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.94
Rot. Bonds3

About 3,3,3-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide

3,3,3-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide (PubChem CID 114951347) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide
PubChem CID114951347
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name3,3,3-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide
SMILESCN(CC1(O)CCOCC1)C(=O)CC(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-14(8(15)6-10(11,12)13)7-9(16)2-4-17-5-3-9/h16H,2-7H2,1H3
InChIKeyQRAPOLKIXVBGSV-UHFFFAOYSA-N
XLogP0.94
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide?
The IUPAC name of 3,3,3-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide (CID 114951347) is 3,3,3-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide is CN(CC1(O)CCOCC1)C(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide?
The InChIKey is QRAPOLKIXVBGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-14(8(15)6-10(11,12)13)7-9(16)2-4-17-5-3-9/h16H,2-7H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide?
3,3,3-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide has a molecular weight of 255.24 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide is sourced from PubChem (CID 114951347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).