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

C9H11F2NO — CID 82706582

IUPAC1-[4-(difluoromethyl)phenyl]-N-methoxymethanamine
SMILESCONCc1ccc(C(F)F)cc1
InChIInChI=1S/C9H11F2NO/c1-13-12-6-7-2-4-8(5-3-7)9(10)11/h2-5,9,12H,6H2,1H3
InChIKeyDZFHFLQLIGNEGJ-UHFFFAOYSA-N
MW187.19 g/mol
LogP2.28
Rot. Bonds4

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

1-[4-(difluoromethyl)phenyl]-N-methoxymethanamine (PubChem CID 82706582) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 1-[4-(difluoromethyl)phenyl]-N-methoxymethanamine.

Molecular Properties

Compound Name1-[4-(difluoromethyl)phenyl]-N-methoxymethanamine
PubChem CID82706582
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name1-[4-(difluoromethyl)phenyl]-N-methoxymethanamine
SMILESCONCc1ccc(C(F)F)cc1
InChIInChI=1S/C9H11F2NO/c1-13-12-6-7-2-4-8(5-3-7)9(10)11/h2-5,9,12H,6H2,1H3
InChIKeyDZFHFLQLIGNEGJ-UHFFFAOYSA-N
XLogP2.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(difluoromethyl)phenyl]-N-ethoxymethanamine
CID 82707188
1-[4-(3,3-difluoropropyl)phenyl]-N-methoxymethanamine
CID 117306564
1-[4-(difluoromethyl)phenyl]-N-methylmethanamine
CID 84654057
N-[[4-(difluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 115523365
1-[4-(2-fluoroethyl)phenyl]-N-methoxymethanamine
CID 117279581
N-methoxy-1-[4-(trifluoromethyl)phenyl]methanamine
CID 23499567
1-[3-bromo-4-(difluoromethyl)phenyl]-N-methoxymethanamine
CID 117419019
N-[[4-(difluoromethyl)phenyl]methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 115523961
N-[[4-(difluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 115523367
N-[[4-(difluoromethyl)phenyl]methyl]-3,5-dimethylaniline
CID 115523457
3-[[4-(difluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol
CID 104709064
methyl 2-[[4-(difluoromethyl)phenyl]methylamino]-3-methylpentanoate
CID 115523737

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethyl)phenyl]-N-methoxymethanamine?
The IUPAC name of 1-[4-(difluoromethyl)phenyl]-N-methoxymethanamine (CID 82706582) is 1-[4-(difluoromethyl)phenyl]-N-methoxymethanamine.
What is the SMILES notation for 1-[4-(difluoromethyl)phenyl]-N-methoxymethanamine?
The canonical SMILES for 1-[4-(difluoromethyl)phenyl]-N-methoxymethanamine is CONCc1ccc(C(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethyl)phenyl]-N-methoxymethanamine?
The InChIKey is DZFHFLQLIGNEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-13-12-6-7-2-4-8(5-3-7)9(10)11/h2-5,9,12H,6H2,1H3.
What are the key properties of 1-[4-(difluoromethyl)phenyl]-N-methoxymethanamine?
1-[4-(difluoromethyl)phenyl]-N-methoxymethanamine has a molecular weight of 187.19 g/mol, XLogP of 2.28, 4 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-methoxymethanamine is sourced from PubChem (CID 82706582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).