N-[3,3,3-trifluoro-2-(hydroxymethyl)propyl]formamide

C5H8F3NO2 — CID 167018216

IUPACN-[3,3,3-trifluoro-2-(hydroxymethyl)propyl]formamide
SMILESO=CNCC(CO)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c6-5(7,8)4(2-10)1-9-3-11/h3-4,10H,1-2H2,(H,9,11)
InChIKeyNBSDOZLMJHMAIA-UHFFFAOYSA-N
MW171.12 g/mol
LogP-0.10
Rot. Bonds4

About N-[3,3,3-trifluoro-2-(hydroxymethyl)propyl]formamide

N-[3,3,3-trifluoro-2-(hydroxymethyl)propyl]formamide (PubChem CID 167018216) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is N-[3,3,3-trifluoro-2-(hydroxymethyl)propyl]formamide.

Molecular Properties

Compound NameN-[3,3,3-trifluoro-2-(hydroxymethyl)propyl]formamide
PubChem CID167018216
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC NameN-[3,3,3-trifluoro-2-(hydroxymethyl)propyl]formamide
SMILESO=CNCC(CO)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c6-5(7,8)4(2-10)1-9-3-11/h3-4,10H,1-2H2,(H,9,11)
InChIKeyNBSDOZLMJHMAIA-UHFFFAOYSA-N
XLogP-0.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3,3,3-trifluoro-2-(hydroxymethyl)propyl]formamide?
The IUPAC name of N-[3,3,3-trifluoro-2-(hydroxymethyl)propyl]formamide (CID 167018216) is N-[3,3,3-trifluoro-2-(hydroxymethyl)propyl]formamide.
What is the SMILES notation for N-[3,3,3-trifluoro-2-(hydroxymethyl)propyl]formamide?
The canonical SMILES for N-[3,3,3-trifluoro-2-(hydroxymethyl)propyl]formamide is O=CNCC(CO)C(F)(F)F.
What is the InChIKey of N-[3,3,3-trifluoro-2-(hydroxymethyl)propyl]formamide?
The InChIKey is NBSDOZLMJHMAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2/c6-5(7,8)4(2-10)1-9-3-11/h3-4,10H,1-2H2,(H,9,11).
What are the key properties of N-[3,3,3-trifluoro-2-(hydroxymethyl)propyl]formamide?
N-[3,3,3-trifluoro-2-(hydroxymethyl)propyl]formamide has a molecular weight of 171.12 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3,3-trifluoro-2-(hydroxymethyl)propyl]formamide is sourced from PubChem (CID 167018216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).