1-[4-(3,3-difluoropropyl)phenyl]-N-methoxymethanamine

C11H15F2NO — CID 117306564

IUPAC1-[4-(3,3-difluoropropyl)phenyl]-N-methoxymethanamine
SMILESCONCc1ccc(CCC(F)F)cc1
InChIInChI=1S/C11H15F2NO/c1-15-14-8-10-4-2-9(3-5-10)6-7-11(12)13/h2-5,11,14H,6-8H2,1H3
InChIKeyMFKOQPNOEIGRQP-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.54
Rot. Bonds6

About 1-[4-(3,3-difluoropropyl)phenyl]-N-methoxymethanamine

1-[4-(3,3-difluoropropyl)phenyl]-N-methoxymethanamine (PubChem CID 117306564) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 1-[4-(3,3-difluoropropyl)phenyl]-N-methoxymethanamine.

Molecular Properties

Compound Name1-[4-(3,3-difluoropropyl)phenyl]-N-methoxymethanamine
PubChem CID117306564
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name1-[4-(3,3-difluoropropyl)phenyl]-N-methoxymethanamine
SMILESCONCc1ccc(CCC(F)F)cc1
InChIInChI=1S/C11H15F2NO/c1-15-14-8-10-4-2-9(3-5-10)6-7-11(12)13/h2-5,11,14H,6-8H2,1H3
InChIKeyMFKOQPNOEIGRQP-UHFFFAOYSA-N
XLogP2.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.54
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-(2-fluoroethyl)phenyl]-N-methoxymethanamine
CID 117279581
1-[4-(difluoromethyl)phenyl]-N-methoxymethanamine
CID 82706582
1-(3,3-difluoropropyl)-4-methylbenzene
CID 142361339
2-[4-(3,3-difluoropropyl)phenyl]-N-methylethanamine
CID 117304334
N-methoxy-1-[4-(trifluoromethyl)phenyl]methanamine
CID 23499567
1-[3-bromo-4-(difluoromethyl)phenyl]-N-methoxymethanamine
CID 117419019
1-[4-(3,3-difluoropropyl)phenyl]-2-methylpropan-2-amine
CID 117327303
1-(4-butan-2-yl-3-chlorophenyl)-N-methoxymethanamine
CID 117327954
1-[4-(difluoromethyl)phenyl]-N-ethoxymethanamine
CID 82707188
N-methoxy-1-(4-prop-2-enoxyphenyl)methanamine
CID 82706596
1-[3-(difluoromethylsulfanyl)phenyl]-N-methoxymethanamine
CID 117312262
1-(3-bromo-4-pentan-3-ylphenyl)-N-methoxymethanamine
CID 117461462

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,3-difluoropropyl)phenyl]-N-methoxymethanamine?
The IUPAC name of 1-[4-(3,3-difluoropropyl)phenyl]-N-methoxymethanamine (CID 117306564) is 1-[4-(3,3-difluoropropyl)phenyl]-N-methoxymethanamine.
What is the SMILES notation for 1-[4-(3,3-difluoropropyl)phenyl]-N-methoxymethanamine?
The canonical SMILES for 1-[4-(3,3-difluoropropyl)phenyl]-N-methoxymethanamine is CONCc1ccc(CCC(F)F)cc1.
What is the InChIKey of 1-[4-(3,3-difluoropropyl)phenyl]-N-methoxymethanamine?
The InChIKey is MFKOQPNOEIGRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-15-14-8-10-4-2-9(3-5-10)6-7-11(12)13/h2-5,11,14H,6-8H2,1H3.
What are the key properties of 1-[4-(3,3-difluoropropyl)phenyl]-N-methoxymethanamine?
1-[4-(3,3-difluoropropyl)phenyl]-N-methoxymethanamine has a molecular weight of 215.24 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,3-difluoropropyl)phenyl]-N-methoxymethanamine is sourced from PubChem (CID 117306564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).