2-[(4-chloronaphthalen-1-yl)oxymethyl]-3,3,3-trifluoropropanimidamide

C14H12ClF3N2O — CID 103370998

IUPAC2-[(4-chloronaphthalen-1-yl)oxymethyl]-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(COc1ccc(Cl)c2ccccc12)C(F)(F)F
InChIInChI=1S/C14H12ClF3N2O/c15-11-5-6-12(9-4-2-1-3-8(9)11)21-7-10(13(19)20)14(16,17)18/h1-6,10H,7H2,(H3,19,20)
InChIKeyHOEAKDRSOIUNMK-UHFFFAOYSA-N
MW316.71 g/mol
LogP3.99
Rot. Bonds4

About 2-[(4-chloronaphthalen-1-yl)oxymethyl]-3,3,3-trifluoropropanimidamide

2-[(4-chloronaphthalen-1-yl)oxymethyl]-3,3,3-trifluoropropanimidamide (PubChem CID 103370998) has the molecular formula C14H12ClF3N2O and a molecular weight of 316.71 g/mol. Its IUPAC name is 2-[(4-chloronaphthalen-1-yl)oxymethyl]-3,3,3-trifluoropropanimidamide.

Molecular Properties

Compound Name2-[(4-chloronaphthalen-1-yl)oxymethyl]-3,3,3-trifluoropropanimidamide
PubChem CID103370998
Molecular FormulaC14H12ClF3N2O
Molecular Weight316.71 g/mol
Exact Mass316.06
IUPAC Name2-[(4-chloronaphthalen-1-yl)oxymethyl]-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(COc1ccc(Cl)c2ccccc12)C(F)(F)F
InChIInChI=1S/C14H12ClF3N2O/c15-11-5-6-12(9-4-2-1-3-8(9)11)21-7-10(13(19)20)14(16,17)18/h1-6,10H,7H2,(H3,19,20)
InChIKeyHOEAKDRSOIUNMK-UHFFFAOYSA-N
XLogP3.99
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.71
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[(4-chloronaphthalen-1-yl)oxymethyl]-3,3,3-trifluoropropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Chloro-4-(2-fluoroethoxy)naphthalene
CID 15058746
3-(4-(4-Chloro-3-(trifluoromethyl)phenoxy)phenyl)propanimidamide hydrochloride
CID 67775638
3-(4-(4-Chloro-3-(trifluoromethyl)phenoxy)phenyl)propanimidamide
CID 67775639
2-(4-Chloronaphthalen-1-yl)oxy-3,3,3-trifluoropropan-1-amine
CID 43804619
3-(4-Chloronaphthalen-1-yl)oxy-4,4,4-trifluorobutan-1-amine
CID 43804627
3-(4-Chloronaphthalen-1-yl)oxy-4,4,4-trifluorobutan-2-amine
CID 61648009
N-[2-(4-chloronaphthalen-1-yl)oxyethyl]-2,2,2-trifluoroethanamine
CID 62599668
2-(4-Chloronaphthalen-1-yl)oxy-1,1,1-trifluoropentan-3-amine
CID 63460121
2-[(4-Chloronaphthalen-1-yl)oxymethyl]-3,3,3-trifluoropropan-1-amine
CID 103366773
2-[(4-Chloronaphthalen-1-yl)oxymethyl]-3,3,3-trifluoropropanenitrile
CID 103368343
2-[(4-Chloronaphthalen-1-yl)oxymethyl]-3,3,3-trifluoropropanethioamide
CID 103369127
3,3,3-trifluoro-N'-hydroxy-2-(naphthalen-1-yloxymethyl)propanimidamide
CID 103370314

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloronaphthalen-1-yl)oxymethyl]-3,3,3-trifluoropropanimidamide?
The IUPAC name of 2-[(4-chloronaphthalen-1-yl)oxymethyl]-3,3,3-trifluoropropanimidamide (CID 103370998) is 2-[(4-chloronaphthalen-1-yl)oxymethyl]-3,3,3-trifluoropropanimidamide.
What is the SMILES notation for 2-[(4-chloronaphthalen-1-yl)oxymethyl]-3,3,3-trifluoropropanimidamide?
The canonical SMILES for 2-[(4-chloronaphthalen-1-yl)oxymethyl]-3,3,3-trifluoropropanimidamide is [H]/N=C(\N)C(COc1ccc(Cl)c2ccccc12)C(F)(F)F.
What is the InChIKey of 2-[(4-chloronaphthalen-1-yl)oxymethyl]-3,3,3-trifluoropropanimidamide?
The InChIKey is HOEAKDRSOIUNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O/c15-11-5-6-12(9-4-2-1-3-8(9)11)21-7-10(13(19)20)14(16,17)18/h1-6,10H,7H2,(H3,19,20).
What are the key properties of 2-[(4-chloronaphthalen-1-yl)oxymethyl]-3,3,3-trifluoropropanimidamide?
2-[(4-chloronaphthalen-1-yl)oxymethyl]-3,3,3-trifluoropropanimidamide has a molecular weight of 316.71 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloronaphthalen-1-yl)oxymethyl]-3,3,3-trifluoropropanimidamide is sourced from PubChem (CID 103370998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).