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

C12H15F4N — CID 19433002

IUPAC(2,3,5,6-tetrafluoro-4-pentylphenyl)methanamine
SMILESCCCCCc1c(F)c(F)c(CN)c(F)c1F
InChIInChI=1S/C12H15F4N/c1-2-3-4-5-7-9(13)11(15)8(6-17)12(16)10(7)14/h2-6,17H2,1H3
InChIKeyFPYJGJDJJBQQAL-UHFFFAOYSA-N
MW249.25 g/mol
LogP3.43
Rot. Bonds5

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

(2,3,5,6-tetrafluoro-4-pentylphenyl)methanamine (PubChem CID 19433002) has the molecular formula C12H15F4N and a molecular weight of 249.25 g/mol. Its IUPAC name is (2,3,5,6-tetrafluoro-4-pentylphenyl)methanamine.

Molecular Properties

Compound Name(2,3,5,6-tetrafluoro-4-pentylphenyl)methanamine
PubChem CID19433002
Molecular FormulaC12H15F4N
Molecular Weight249.25 g/mol
Exact Mass249.11
IUPAC Name(2,3,5,6-tetrafluoro-4-pentylphenyl)methanamine
SMILESCCCCCc1c(F)c(F)c(CN)c(F)c1F
InChIInChI=1S/C12H15F4N/c1-2-3-4-5-7-9(13)11(15)8(6-17)12(16)10(7)14/h2-6,17H2,1H3
InChIKeyFPYJGJDJJBQQAL-UHFFFAOYSA-N
XLogP3.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-butyl-2,3,5,6-tetrafluorophenyl)methanamine
CID 19433019
argon;1,2,3,4,5-pentafluoro-6-pentylbenzene;hydrofluoride
CID 158257031
butane;(2,3,4,5,6-pentafluorophenyl)methanamine
CID 175415233
(2,3,5,6-tetrafluoro-4-methylphenyl)methanamine
CID 11183147
(4-butylsulfanyl-2,3,5,6-tetrafluorophenyl)methanamine
CID 19433014
4-(2,3,5,6-tetrafluoro-4-pentylphenyl)aniline
CID 15938619
2,3,4,5-tetrafluoro-6-heptylbenzoic acid
CID 22465875
(2,3-dihexyl-6-nonylphenyl)methanamine
CID 161402444
1-butyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
CID 14092719
2,3,4-trifluoro-6-heptyl-5-octylbenzamide
CID 57359754
1,2,3,4,5-pentafluoro-6-[5-[tri(propan-2-yloxy)methyl]tridecyl]benzene
CID 150781064
1-[11-(1,1-dimethoxypropyl)nonadecyl]-2,3,4,5,6-pentafluorobenzene
CID 151173394

Frequently Asked Questions

What is the IUPAC name of (2,3,5,6-tetrafluoro-4-pentylphenyl)methanamine?
The IUPAC name of (2,3,5,6-tetrafluoro-4-pentylphenyl)methanamine (CID 19433002) is (2,3,5,6-tetrafluoro-4-pentylphenyl)methanamine.
What is the SMILES notation for (2,3,5,6-tetrafluoro-4-pentylphenyl)methanamine?
The canonical SMILES for (2,3,5,6-tetrafluoro-4-pentylphenyl)methanamine is CCCCCc1c(F)c(F)c(CN)c(F)c1F.
What is the InChIKey of (2,3,5,6-tetrafluoro-4-pentylphenyl)methanamine?
The InChIKey is FPYJGJDJJBQQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4N/c1-2-3-4-5-7-9(13)11(15)8(6-17)12(16)10(7)14/h2-6,17H2,1H3.
What are the key properties of (2,3,5,6-tetrafluoro-4-pentylphenyl)methanamine?
(2,3,5,6-tetrafluoro-4-pentylphenyl)methanamine has a molecular weight of 249.25 g/mol, XLogP of 3.43, 5 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-pentylphenyl)methanamine is sourced from PubChem (CID 19433002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).