N-[[1-(chloromethyl)cyclopropyl]methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

C9H10ClF6NO — CID 103311055

IUPACN-[[1-(chloromethyl)cyclopropyl]methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESO=C(NCC1(CCl)CC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H10ClF6NO/c10-3-7(1-2-7)4-17-6(18)5(8(11,12)13)9(14,15)16/h5H,1-4H2,(H,17,18)
InChIKeyCLGDBGRUIWYPFK-UHFFFAOYSA-N
MW297.63 g/mol
LogP2.86
Rot. Bonds4

About N-[[1-(chloromethyl)cyclopropyl]methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

N-[[1-(chloromethyl)cyclopropyl]methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (PubChem CID 103311055) has the molecular formula C9H10ClF6NO and a molecular weight of 297.63 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopropyl]methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopropyl]methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
PubChem CID103311055
Molecular FormulaC9H10ClF6NO
Molecular Weight297.63 g/mol
Exact Mass297.04
IUPAC NameN-[[1-(chloromethyl)cyclopropyl]methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESO=C(NCC1(CCl)CC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H10ClF6NO/c10-3-7(1-2-7)4-17-6(18)5(8(11,12)13)9(14,15)16/h5H,1-4H2,(H,17,18)
InChIKeyCLGDBGRUIWYPFK-UHFFFAOYSA-N
XLogP2.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.63
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CID 103311055) is N-[[1-(chloromethyl)cyclopropyl]methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopropyl]methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclopropyl]methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is O=C(NCC1(CCl)CC1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[[1-(chloromethyl)cyclopropyl]methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The InChIKey is CLGDBGRUIWYPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF6NO/c10-3-7(1-2-7)4-17-6(18)5(8(11,12)13)9(14,15)16/h5H,1-4H2,(H,17,18).
What are the key properties of N-[[1-(chloromethyl)cyclopropyl]methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
N-[[1-(chloromethyl)cyclopropyl]methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide has a molecular weight of 297.63 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopropyl]methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103311055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).