1-chloro-N-(3,3,3-trifluoropropyl)cyclopropane-1-carboxamide

C7H9ClF3NO — CID 90224662

IUPAC1-chloro-N-(3,3,3-trifluoropropyl)cyclopropane-1-carboxamide
SMILESO=C(NCCC(F)(F)F)C1(Cl)CC1
InChIInChI=1S/C7H9ClF3NO/c8-6(1-2-6)5(13)12-4-3-7(9,10)11/h1-4H2,(H,12,13)
InChIKeyRRCHCEGUAMSKRR-UHFFFAOYSA-N
MW215.60 g/mol
LogP1.83
Rot. Bonds3

About 1-chloro-N-(3,3,3-trifluoropropyl)cyclopropane-1-carboxamide

1-chloro-N-(3,3,3-trifluoropropyl)cyclopropane-1-carboxamide (PubChem CID 90224662) has the molecular formula C7H9ClF3NO and a molecular weight of 215.60 g/mol. Its IUPAC name is 1-chloro-N-(3,3,3-trifluoropropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-chloro-N-(3,3,3-trifluoropropyl)cyclopropane-1-carboxamide
PubChem CID90224662
Molecular FormulaC7H9ClF3NO
Molecular Weight215.60 g/mol
Exact Mass215.03
IUPAC Name1-chloro-N-(3,3,3-trifluoropropyl)cyclopropane-1-carboxamide
SMILESO=C(NCCC(F)(F)F)C1(Cl)CC1
InChIInChI=1S/C7H9ClF3NO/c8-6(1-2-6)5(13)12-4-3-7(9,10)11/h1-4H2,(H,12,13)
InChIKeyRRCHCEGUAMSKRR-UHFFFAOYSA-N
XLogP1.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.60
LogP ≤ 51.83
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 1-chloro-N-(3,3,3-trifluoropropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-chloro-N-(3,3,3-trifluoropropyl)cyclopropane-1-carboxamide (CID 90224662) is 1-chloro-N-(3,3,3-trifluoropropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-chloro-N-(3,3,3-trifluoropropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-chloro-N-(3,3,3-trifluoropropyl)cyclopropane-1-carboxamide is O=C(NCCC(F)(F)F)C1(Cl)CC1.
What is the InChIKey of 1-chloro-N-(3,3,3-trifluoropropyl)cyclopropane-1-carboxamide?
The InChIKey is RRCHCEGUAMSKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClF3NO/c8-6(1-2-6)5(13)12-4-3-7(9,10)11/h1-4H2,(H,12,13).
What are the key properties of 1-chloro-N-(3,3,3-trifluoropropyl)cyclopropane-1-carboxamide?
1-chloro-N-(3,3,3-trifluoropropyl)cyclopropane-1-carboxamide has a molecular weight of 215.60 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(3,3,3-trifluoropropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 90224662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).