3-chloro-N-[(2R)-1-(2-fluorophenoxy)propan-2-yl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide

C16H18ClF4NO2 — CID 23550318

IUPAC3-chloro-N-[(2R)-1-(2-fluorophenoxy)propan-2-yl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide
SMILESC[C@H](COc1ccccc1F)NC(=O)C1(C(F)(F)F)CC(C)(Cl)C1
InChIInChI=1S/C16H18ClF4NO2/c1-10(7-24-12-6-4-3-5-11(12)18)22-13(23)15(16(19,20)21)8-14(2,17)9-15/h3-6,10H,7-9H2,1-2H3,(H,22,23)/t10-,14?,15?/m1/s1
InChIKeyQHHDVXLBHHBKLP-SFNBMPIDSA-N
MW367.77 g/mol
LogP4.05
Rot. Bonds5

About 3-chloro-N-[(2R)-1-(2-fluorophenoxy)propan-2-yl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide

3-chloro-N-[(2R)-1-(2-fluorophenoxy)propan-2-yl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide (PubChem CID 23550318) has the molecular formula C16H18ClF4NO2 and a molecular weight of 367.77 g/mol. Its IUPAC name is 3-chloro-N-[(2R)-1-(2-fluorophenoxy)propan-2-yl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(2R)-1-(2-fluorophenoxy)propan-2-yl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide
PubChem CID23550318
Molecular FormulaC16H18ClF4NO2
Molecular Weight367.77 g/mol
Exact Mass367.10
IUPAC Name3-chloro-N-[(2R)-1-(2-fluorophenoxy)propan-2-yl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide
SMILESC[C@H](COc1ccccc1F)NC(=O)C1(C(F)(F)F)CC(C)(Cl)C1
InChIInChI=1S/C16H18ClF4NO2/c1-10(7-24-12-6-4-3-5-11(12)18)22-13(23)15(16(19,20)21)8-14(2,17)9-15/h3-6,10H,7-9H2,1-2H3,(H,22,23)/t10-,14?,15?/m1/s1
InChIKeyQHHDVXLBHHBKLP-SFNBMPIDSA-N
XLogP4.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.77
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-chloro-N-[(2R)-1-(2-fluorophenoxy)propan-2-yl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The IUPAC name of 3-chloro-N-[(2R)-1-(2-fluorophenoxy)propan-2-yl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide (CID 23550318) is 3-chloro-N-[(2R)-1-(2-fluorophenoxy)propan-2-yl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 3-chloro-N-[(2R)-1-(2-fluorophenoxy)propan-2-yl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 3-chloro-N-[(2R)-1-(2-fluorophenoxy)propan-2-yl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide is C[C@H](COc1ccccc1F)NC(=O)C1(C(F)(F)F)CC(C)(Cl)C1.
What is the InChIKey of 3-chloro-N-[(2R)-1-(2-fluorophenoxy)propan-2-yl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The InChIKey is QHHDVXLBHHBKLP-SFNBMPIDSA-N. The full InChI is InChI=1S/C16H18ClF4NO2/c1-10(7-24-12-6-4-3-5-11(12)18)22-13(23)15(16(19,20)21)8-14(2,17)9-15/h3-6,10H,7-9H2,1-2H3,(H,22,23)/t10-,14?,15?/m1/s1.
What are the key properties of 3-chloro-N-[(2R)-1-(2-fluorophenoxy)propan-2-yl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide?
3-chloro-N-[(2R)-1-(2-fluorophenoxy)propan-2-yl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide has a molecular weight of 367.77 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2R)-1-(2-fluorophenoxy)propan-2-yl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 23550318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).