3-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide

C10H15ClF3NO — CID 60948883

IUPAC3-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)CCCl
InChIInChI=1S/C10H15ClF3NO/c1-7(8-2-3-8)15(6-10(12,13)14)9(16)4-5-11/h7-8H,2-6H2,1H3
InChIKeyQMRRTVYMLIGQJO-UHFFFAOYSA-N
MW257.68 g/mol
LogP2.80
Rot. Bonds5

About 3-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide

3-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 60948883) has the molecular formula C10H15ClF3NO and a molecular weight of 257.68 g/mol. Its IUPAC name is 3-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID60948883
Molecular FormulaC10H15ClF3NO
Molecular Weight257.68 g/mol
Exact Mass257.08
IUPAC Name3-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)CCCl
InChIInChI=1S/C10H15ClF3NO/c1-7(8-2-3-8)15(6-10(12,13)14)9(16)4-5-11/h7-8H,2-6H2,1H3
InChIKeyQMRRTVYMLIGQJO-UHFFFAOYSA-N
XLogP2.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyclopropylethyl)-3-(ethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 55121139
3-chloro-N-(1-cyclopropylethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 55110482
6-amino-N-(1-cyclopropylethyl)-4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide
CID 65290581
3-chloro-N-(1-cyclopropylethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide
CID 63678864
N-(1-cyclopropylethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 60717510
2-[2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 112682892
2-(2-aminoethoxy)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 79473073
2-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 55036006
2-amino-N-(1-cyclopropylethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 79809276
N-(1-cyclopropylethyl)-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 60715950
N-(1-cyclopropylethyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 66267387
3,5-diamino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 61106090

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide (CID 60948883) is 3-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide is CC(C1CC1)N(CC(F)(F)F)C(=O)CCCl.
What is the InChIKey of 3-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is QMRRTVYMLIGQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClF3NO/c1-7(8-2-3-8)15(6-10(12,13)14)9(16)4-5-11/h7-8H,2-6H2,1H3.
What are the key properties of 3-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide?
3-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 257.68 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 60948883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).