N-(3-fluorophenoxy)methanamine

C7H8FNO — CID 117126743

IUPACN-(3-fluorophenoxy)methanamine
SMILESCNOc1cccc(F)c1
InChIInChI=1S/C7H8FNO/c1-9-10-7-4-2-3-6(8)5-7/h2-5,9H,1H3
InChIKeyDSOOTWATLFEYIE-UHFFFAOYSA-N
MW141.14 g/mol
LogP1.34
Rot. Bonds2

About N-(3-fluorophenoxy)methanamine

N-(3-fluorophenoxy)methanamine (PubChem CID 117126743) has the molecular formula C7H8FNO and a molecular weight of 141.14 g/mol. Its IUPAC name is N-(3-fluorophenoxy)methanamine.

Molecular Properties

Compound NameN-(3-fluorophenoxy)methanamine
PubChem CID117126743
Molecular FormulaC7H8FNO
Molecular Weight141.14 g/mol
Exact Mass141.06
IUPAC NameN-(3-fluorophenoxy)methanamine
SMILESCNOc1cccc(F)c1
InChIInChI=1S/C7H8FNO/c1-9-10-7-4-2-3-6(8)5-7/h2-5,9H,1H3
InChIKeyDSOOTWATLFEYIE-UHFFFAOYSA-N
XLogP1.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.14
LogP ≤ 51.34
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

N-(3-fluorophenoxy)aniline
CID 141068441
4-(3-fluorophenoxy)-N-methylbut-2-en-1-amine
CID 171158074
1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene
CID 22338391
O-(3-fluorophenyl)hydroxylamine;propane
CID 23134075
1-fluoro-3-(3-fluorophenoxy)-5-methylbenzene
CID 54548242
1-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62459750
dimethyl 2-(3-fluorophenoxy)propanedioate
CID 94688000
3-Fluorophenol, diisopropylsilyl ether
CID 91722313
2-[(3-fluorophenoxy)methyl]-N-methylprop-2-en-1-amine
CID 103066700
3-fluoro-N-methylaniline
CID 2759011
1,3-difluorobenzene;methanol
CID 144994633
2-(3-fluorophenoxy)-N-methylpentan-1-amine
CID 83046683

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenoxy)methanamine?
The IUPAC name of N-(3-fluorophenoxy)methanamine (CID 117126743) is N-(3-fluorophenoxy)methanamine.
What is the SMILES notation for N-(3-fluorophenoxy)methanamine?
The canonical SMILES for N-(3-fluorophenoxy)methanamine is CNOc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenoxy)methanamine?
The InChIKey is DSOOTWATLFEYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO/c1-9-10-7-4-2-3-6(8)5-7/h2-5,9H,1H3.
What are the key properties of N-(3-fluorophenoxy)methanamine?
N-(3-fluorophenoxy)methanamine has a molecular weight of 141.14 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenoxy)methanamine is sourced from PubChem (CID 117126743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).