1-(2-fluorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine

C14H9F6N — CID 115827734

IUPAC1-(2-fluorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine
SMILESCNC(c1ccccc1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H9F6N/c1-21-14(6-4-2-3-5-7(6)15)8-9(16)11(18)13(20)12(19)10(8)17/h2-5,14,21H,1H3
InChIKeyCDQLOGRQZGSYBD-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.83
Rot. Bonds3

About 1-(2-fluorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine

1-(2-fluorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine (PubChem CID 115827734) has the molecular formula C14H9F6N and a molecular weight of 305.22 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine
PubChem CID115827734
Molecular FormulaC14H9F6N
Molecular Weight305.22 g/mol
Exact Mass305.06
IUPAC Name1-(2-fluorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine
SMILESCNC(c1ccccc1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H9F6N/c1-21-14(6-4-2-3-5-7(6)15)8-9(16)11(18)13(20)12(19)10(8)17/h2-5,14,21H,1H3
InChIKeyCDQLOGRQZGSYBD-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 43483217
N-methyl-1-(2,3,4,5,6-pentafluorophenyl)-1-phenylmethanamine
CID 43607979
1-(2-bromophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 55079167
1-(2,4-difluorophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 43484143
1-(2-fluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480563
1-(3,5-dibromophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 114022874
1-(4-bromo-2-fluorophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 114906280
1-(2-fluorophenyl)-N-methyl-1-pyridin-2-ylmethanamine
CID 62500784
1-(2-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 82902135
1-(2-fluorophenyl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 63084391
1-(4-chlorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 43607978
1-(2,5-difluorophenyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 43482919

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine?
The IUPAC name of 1-(2-fluorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine (CID 115827734) is 1-(2-fluorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine?
The canonical SMILES for 1-(2-fluorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine is CNC(c1ccccc1F)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine?
The InChIKey is CDQLOGRQZGSYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6N/c1-21-14(6-4-2-3-5-7(6)15)8-9(16)11(18)13(20)12(19)10(8)17/h2-5,14,21H,1H3.
What are the key properties of 1-(2-fluorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine?
1-(2-fluorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine has a molecular weight of 305.22 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine is sourced from PubChem (CID 115827734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).