(2,3,5,6-tetrafluoro-4-methylphenyl)methanamine

C8H7F4N — CID 11183147

IUPAC(2,3,5,6-tetrafluoro-4-methylphenyl)methanamine
SMILESCc1c(F)c(F)c(CN)c(F)c1F
InChIInChI=1S/C8H7F4N/c1-3-5(9)7(11)4(2-13)8(12)6(3)10/h2,13H2,1H3
InChIKeyAYCZMWCDBIZDAD-UHFFFAOYSA-N
MW193.14 g/mol
LogP2.01
Rot. Bonds1

About (2,3,5,6-tetrafluoro-4-methylphenyl)methanamine

(2,3,5,6-tetrafluoro-4-methylphenyl)methanamine (PubChem CID 11183147) has the molecular formula C8H7F4N and a molecular weight of 193.14 g/mol. Its IUPAC name is (2,3,5,6-tetrafluoro-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(2,3,5,6-tetrafluoro-4-methylphenyl)methanamine
PubChem CID11183147
Molecular FormulaC8H7F4N
Molecular Weight193.14 g/mol
Exact Mass193.05
IUPAC Name(2,3,5,6-tetrafluoro-4-methylphenyl)methanamine
SMILESCc1c(F)c(F)c(CN)c(F)c1F
InChIInChI=1S/C8H7F4N/c1-3-5(9)7(11)4(2-13)8(12)6(3)10/h2,13H2,1H3
InChIKeyAYCZMWCDBIZDAD-UHFFFAOYSA-N
XLogP2.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.14
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2,4,5-tetrafluoro-3-(fluoromethyl)-6-methylbenzene
CID 14423018
butane;(2,3,4,5,6-pentafluorophenyl)methanamine
CID 175415233
(4-butyl-2,3,5,6-tetrafluorophenyl)methanamine
CID 19433019
1,2,4,5-tetrafluoro-3,6-dimethylbenzene
CID 160870042
(2,3,5,6-tetrafluoro-4-pentylphenyl)methanamine
CID 19433002
(2,4-dichloro-3,5,6-trifluorophenyl)methanamine
CID 119000719
2,4,5-trifluoro-3,6-dimethylaniline
CID 23359007
tris(propan-1-ol);(2,3,5,6-tetrafluoro-4-methylphenyl)methanol;zirconium
CID 87558789
bis(2,3,4,5,6-pentafluorophenyl)-[(2,3,4,5,6-pentafluorophenyl)methyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)boranuide
CID 158705249
(4-butylsulfanyl-2,3,5,6-tetrafluorophenyl)methanamine
CID 19433014
(2,6-difluoro-4-methylphenyl)methanamine
CID 118595303
1-(2,2-dimethylpropylsulfanylmethyl)-2,3,5,6-tetrafluoro-4-methylbenzene
CID 158109063

Frequently Asked Questions

What is the IUPAC name of (2,3,5,6-tetrafluoro-4-methylphenyl)methanamine?
The IUPAC name of (2,3,5,6-tetrafluoro-4-methylphenyl)methanamine (CID 11183147) is (2,3,5,6-tetrafluoro-4-methylphenyl)methanamine.
What is the SMILES notation for (2,3,5,6-tetrafluoro-4-methylphenyl)methanamine?
The canonical SMILES for (2,3,5,6-tetrafluoro-4-methylphenyl)methanamine is Cc1c(F)c(F)c(CN)c(F)c1F.
What is the InChIKey of (2,3,5,6-tetrafluoro-4-methylphenyl)methanamine?
The InChIKey is AYCZMWCDBIZDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4N/c1-3-5(9)7(11)4(2-13)8(12)6(3)10/h2,13H2,1H3.
What are the key properties of (2,3,5,6-tetrafluoro-4-methylphenyl)methanamine?
(2,3,5,6-tetrafluoro-4-methylphenyl)methanamine has a molecular weight of 193.14 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,5,6-tetrafluoro-4-methylphenyl)methanamine is sourced from PubChem (CID 11183147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).