N-[[5-(trifluoromethyl)oxolan-2-yl]methyl]formamide

C7H10F3NO2 — CID 170084777

IUPACN-[[5-(trifluoromethyl)oxolan-2-yl]methyl]formamide
SMILESO=CNCC1CCC(C(F)(F)F)O1
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)6-2-1-5(13-6)3-11-4-12/h4-6H,1-3H2,(H,11,12)
InChIKeyBAZXLFFRBWPILZ-UHFFFAOYSA-N
MW197.16 g/mol
LogP0.84
Rot. Bonds3

About N-[[5-(trifluoromethyl)oxolan-2-yl]methyl]formamide

N-[[5-(trifluoromethyl)oxolan-2-yl]methyl]formamide (PubChem CID 170084777) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is N-[[5-(trifluoromethyl)oxolan-2-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[5-(trifluoromethyl)oxolan-2-yl]methyl]formamide
PubChem CID170084777
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC NameN-[[5-(trifluoromethyl)oxolan-2-yl]methyl]formamide
SMILESO=CNCC1CCC(C(F)(F)F)O1
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)6-2-1-5(13-6)3-11-4-12/h4-6H,1-3H2,(H,11,12)
InChIKeyBAZXLFFRBWPILZ-UHFFFAOYSA-N
XLogP0.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.84
H-Bond Donors ≤ 51
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-[[5-(trifluoromethyl)oxolan-2-yl]methyl]formamide?
The IUPAC name of N-[[5-(trifluoromethyl)oxolan-2-yl]methyl]formamide (CID 170084777) is N-[[5-(trifluoromethyl)oxolan-2-yl]methyl]formamide.
What is the SMILES notation for N-[[5-(trifluoromethyl)oxolan-2-yl]methyl]formamide?
The canonical SMILES for N-[[5-(trifluoromethyl)oxolan-2-yl]methyl]formamide is O=CNCC1CCC(C(F)(F)F)O1.
What is the InChIKey of N-[[5-(trifluoromethyl)oxolan-2-yl]methyl]formamide?
The InChIKey is BAZXLFFRBWPILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c8-7(9,10)6-2-1-5(13-6)3-11-4-12/h4-6H,1-3H2,(H,11,12).
What are the key properties of N-[[5-(trifluoromethyl)oxolan-2-yl]methyl]formamide?
N-[[5-(trifluoromethyl)oxolan-2-yl]methyl]formamide has a molecular weight of 197.16 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(trifluoromethyl)oxolan-2-yl]methyl]formamide is sourced from PubChem (CID 170084777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).