N-(2-cyclopropyloxolan-3-yl)-2,2,2-trifluoroacetamide

C9H12F3NO2 — CID 103867566

IUPACN-(2-cyclopropyloxolan-3-yl)-2,2,2-trifluoroacetamide
SMILESO=C(NC1CCOC1C1CC1)C(F)(F)F
InChIInChI=1S/C9H12F3NO2/c10-9(11,12)8(14)13-6-3-4-15-7(6)5-1-2-5/h5-7H,1-4H2,(H,13,14)
InChIKeyBFDGOPSOCZHQKD-UHFFFAOYSA-N
MW223.19 g/mol
LogP1.23
Rot. Bonds2

About N-(2-cyclopropyloxolan-3-yl)-2,2,2-trifluoroacetamide

N-(2-cyclopropyloxolan-3-yl)-2,2,2-trifluoroacetamide (PubChem CID 103867566) has the molecular formula C9H12F3NO2 and a molecular weight of 223.19 g/mol. Its IUPAC name is N-(2-cyclopropyloxolan-3-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2-cyclopropyloxolan-3-yl)-2,2,2-trifluoroacetamide
PubChem CID103867566
Molecular FormulaC9H12F3NO2
Molecular Weight223.19 g/mol
Exact Mass223.08
IUPAC NameN-(2-cyclopropyloxolan-3-yl)-2,2,2-trifluoroacetamide
SMILESO=C(NC1CCOC1C1CC1)C(F)(F)F
InChIInChI=1S/C9H12F3NO2/c10-9(11,12)8(14)13-6-3-4-15-7(6)5-1-2-5/h5-7H,1-4H2,(H,13,14)
InChIKeyBFDGOPSOCZHQKD-UHFFFAOYSA-N
XLogP1.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S,3S,4S,5R)-4-fluoro-5-(2-methylpropyl)-2-propan-2-yloxolan-3-yl]acetamide
CID 176612777
2-cyclopropyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine
CID 103580678
2-cyclopropyl-N-(3,3,3-trifluoropropyl)oxolan-3-amine
CID 103580695
2-cyclopropyl-N-(2,2-difluoroethyl)oxolan-3-amine
CID 103580778
2-cyclopropyl-N-(2-fluoroethyl)oxolan-3-amine
CID 103580860
3-[(2-Cyclopropyloxolan-3-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 103580905
2-cyclopropyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine
CID 103580943
2-cyclopropyl-N-(2,2,2-trifluoroethyl)oxolan-3-amine
CID 103580987
2-cyclopropyl-N-(3-fluoropropyl)oxolan-3-amine
CID 103581006
2-cyclopropyl-N-(1,1-difluoropropan-2-yl)oxolan-3-amine
CID 105835973
2-cyclopropyl-N-(4,4,4-trifluorobutyl)oxolan-3-amine
CID 105840156
2-[(2-cyclopropyloxolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 105840394

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyloxolan-3-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2-cyclopropyloxolan-3-yl)-2,2,2-trifluoroacetamide (CID 103867566) is N-(2-cyclopropyloxolan-3-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2-cyclopropyloxolan-3-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2-cyclopropyloxolan-3-yl)-2,2,2-trifluoroacetamide is O=C(NC1CCOC1C1CC1)C(F)(F)F.
What is the InChIKey of N-(2-cyclopropyloxolan-3-yl)-2,2,2-trifluoroacetamide?
The InChIKey is BFDGOPSOCZHQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO2/c10-9(11,12)8(14)13-6-3-4-15-7(6)5-1-2-5/h5-7H,1-4H2,(H,13,14).
What are the key properties of N-(2-cyclopropyloxolan-3-yl)-2,2,2-trifluoroacetamide?
N-(2-cyclopropyloxolan-3-yl)-2,2,2-trifluoroacetamide has a molecular weight of 223.19 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyloxolan-3-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 103867566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).