4,4,4-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]butanamide

C9H14F3NO2 — CID 80716729

IUPAC4,4,4-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]butanamide
SMILESO=C(CCC(F)(F)F)NCC1(CO)CC1
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)2-1-7(15)13-5-8(6-14)3-4-8/h14H,1-6H2,(H,13,15)
InChIKeyLIYASHBPNQBVNX-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.22
Rot. Bonds5

About 4,4,4-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]butanamide

4,4,4-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]butanamide (PubChem CID 80716729) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]butanamide
PubChem CID80716729
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name4,4,4-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]butanamide
SMILESO=C(CCC(F)(F)F)NCC1(CO)CC1
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)2-1-7(15)13-5-8(6-14)3-4-8/h14H,1-6H2,(H,13,15)
InChIKeyLIYASHBPNQBVNX-UHFFFAOYSA-N
XLogP1.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]butanamide (CID 80716729) is 4,4,4-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]butanamide is O=C(CCC(F)(F)F)NCC1(CO)CC1.
What is the InChIKey of 4,4,4-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]butanamide?
The InChIKey is LIYASHBPNQBVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c10-9(11,12)2-1-7(15)13-5-8(6-14)3-4-8/h14H,1-6H2,(H,13,15).
What are the key properties of 4,4,4-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]butanamide?
4,4,4-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]butanamide has a molecular weight of 225.21 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]butanamide is sourced from PubChem (CID 80716729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).