4,4,4-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]butanamide

C10H16F3NO3 — CID 113435072

IUPAC4,4,4-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]butanamide
SMILESO=C(CCC(F)(F)F)NC1(CO)CCOCC1
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)2-1-8(16)14-9(7-15)3-5-17-6-4-9/h15H,1-7H2,(H,14,16)
InChIKeyGNXOITPHMOOPKX-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.99
Rot. Bonds4

About 4,4,4-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]butanamide

4,4,4-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]butanamide (PubChem CID 113435072) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]butanamide
PubChem CID113435072
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name4,4,4-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]butanamide
SMILESO=C(CCC(F)(F)F)NC1(CO)CCOCC1
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)2-1-8(16)14-9(7-15)3-5-17-6-4-9/h15H,1-7H2,(H,14,16)
InChIKeyGNXOITPHMOOPKX-UHFFFAOYSA-N
XLogP0.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(hydroxymethyl)pentan-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 62520303
4,4,4-trifluoro-N-[3-(hydroxymethyl)pentan-3-yl]butanamide
CID 65711177
3-(2,2-difluoroethoxy)-N-[1-(hydroxymethyl)cyclobutyl]propanamide
CID 103209185
4,4,4-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)butanamide
CID 103946252
N-[4-(hydroxymethyl)oxan-4-yl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103954179
3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
CID 103954388
2,2,2-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 104630606
4,4-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]cyclohexane-1-carboxamide
CID 104630658
3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]-2-(trifluoromethyl)propanamide
CID 106297695
2-amino-3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylpropanamide
CID 106298806
2,2-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 107168208
N-[4-(hydroxymethyl)oxan-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 113358065

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]butanamide (CID 113435072) is 4,4,4-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]butanamide is O=C(CCC(F)(F)F)NC1(CO)CCOCC1.
What is the InChIKey of 4,4,4-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]butanamide?
The InChIKey is GNXOITPHMOOPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c11-10(12,13)2-1-8(16)14-9(7-15)3-5-17-6-4-9/h15H,1-7H2,(H,14,16).
What are the key properties of 4,4,4-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]butanamide?
4,4,4-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]butanamide has a molecular weight of 255.24 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]butanamide is sourced from PubChem (CID 113435072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).