1-[4-(difluoromethyl)phenyl]-N-ethoxymethanamine

C10H13F2NO — CID 82707188

IUPAC1-[4-(difluoromethyl)phenyl]-N-ethoxymethanamine
SMILESCCONCc1ccc(C(F)F)cc1
InChIInChI=1S/C10H13F2NO/c1-2-14-13-7-8-3-5-9(6-4-8)10(11)12/h3-6,10,13H,2,7H2,1H3
InChIKeyCZTRJNREEOSIET-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.67
Rot. Bonds5

About 1-[4-(difluoromethyl)phenyl]-N-ethoxymethanamine

1-[4-(difluoromethyl)phenyl]-N-ethoxymethanamine (PubChem CID 82707188) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-[4-(difluoromethyl)phenyl]-N-ethoxymethanamine.

Molecular Properties

Compound Name1-[4-(difluoromethyl)phenyl]-N-ethoxymethanamine
PubChem CID82707188
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name1-[4-(difluoromethyl)phenyl]-N-ethoxymethanamine
SMILESCCONCc1ccc(C(F)F)cc1
InChIInChI=1S/C10H13F2NO/c1-2-14-13-7-8-3-5-9(6-4-8)10(11)12/h3-6,10,13H,2,7H2,1H3
InChIKeyCZTRJNREEOSIET-UHFFFAOYSA-N
XLogP2.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-(difluoromethyl)phenyl]-N-methoxymethanamine
CID 82706582
1-(4-bromophenyl)-N-ethoxymethanamine
CID 60702671
1-[4-(difluoromethyl)phenyl]-N-methylmethanamine
CID 84654057
N-ethoxy-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 60727411
N-[[4-(difluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 115523367
N-ethoxy-1-(furan-3-yl)methanamine
CID 82709352
N-[[4-(difluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 115523365
N-[[4-(difluoromethyl)phenyl]methyl]-4-ethoxy-2-methylaniline
CID 115523834
N-ethoxy-1-naphthalen-2-ylmethanamine
CID 53308535
N-[[4-(difluoromethyl)phenyl]methyl]-2,2-dimethylheptan-1-amine
CID 115524107
2-[[4-(difluoromethyl)phenyl]methylamino]-2-methylbutan-1-ol
CID 115524024
N-[2-[[4-(difluoromethyl)phenyl]methylamino]ethyl]methanesulfonamide
CID 113328290

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethyl)phenyl]-N-ethoxymethanamine?
The IUPAC name of 1-[4-(difluoromethyl)phenyl]-N-ethoxymethanamine (CID 82707188) is 1-[4-(difluoromethyl)phenyl]-N-ethoxymethanamine.
What is the SMILES notation for 1-[4-(difluoromethyl)phenyl]-N-ethoxymethanamine?
The canonical SMILES for 1-[4-(difluoromethyl)phenyl]-N-ethoxymethanamine is CCONCc1ccc(C(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethyl)phenyl]-N-ethoxymethanamine?
The InChIKey is CZTRJNREEOSIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-2-14-13-7-8-3-5-9(6-4-8)10(11)12/h3-6,10,13H,2,7H2,1H3.
What are the key properties of 1-[4-(difluoromethyl)phenyl]-N-ethoxymethanamine?
1-[4-(difluoromethyl)phenyl]-N-ethoxymethanamine has a molecular weight of 201.22 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethyl)phenyl]-N-ethoxymethanamine is sourced from PubChem (CID 82707188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).