(4-butyl-2,3,5,6-tetrafluorophenyl)methanamine

C11H13F4N — CID 19433019

IUPAC(4-butyl-2,3,5,6-tetrafluorophenyl)methanamine
SMILESCCCCc1c(F)c(F)c(CN)c(F)c1F
InChIInChI=1S/C11H13F4N/c1-2-3-4-6-8(12)10(14)7(5-16)11(15)9(6)13/h2-5,16H2,1H3
InChIKeyOOYUHDIAWWKLRA-UHFFFAOYSA-N
MW235.22 g/mol
LogP3.04
Rot. Bonds4

About (4-butyl-2,3,5,6-tetrafluorophenyl)methanamine

(4-butyl-2,3,5,6-tetrafluorophenyl)methanamine (PubChem CID 19433019) has the molecular formula C11H13F4N and a molecular weight of 235.22 g/mol. Its IUPAC name is (4-butyl-2,3,5,6-tetrafluorophenyl)methanamine.

Molecular Properties

Compound Name(4-butyl-2,3,5,6-tetrafluorophenyl)methanamine
PubChem CID19433019
Molecular FormulaC11H13F4N
Molecular Weight235.22 g/mol
Exact Mass235.10
IUPAC Name(4-butyl-2,3,5,6-tetrafluorophenyl)methanamine
SMILESCCCCc1c(F)c(F)c(CN)c(F)c1F
InChIInChI=1S/C11H13F4N/c1-2-3-4-6-8(12)10(14)7(5-16)11(15)9(6)13/h2-5,16H2,1H3
InChIKeyOOYUHDIAWWKLRA-UHFFFAOYSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 53.04
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

(2,3,5,6-tetrafluoro-4-pentylphenyl)methanamine
CID 19433002
butane;(2,3,4,5,6-pentafluorophenyl)methanamine
CID 175415233
(2,3,5,6-tetrafluoro-4-methylphenyl)methanamine
CID 11183147
argon;1,2,3,4,5-pentafluoro-6-pentylbenzene;hydrofluoride
CID 158257031
1-butyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
CID 14092719
(4-butylsulfanyl-2,3,5,6-tetrafluorophenyl)methanamine
CID 19433014
1,2,3,4,5,6-hexabutylbenzene
CID 12586860
3-butyl-1,2,4,5-tetrafluorobenzene-6-ide;1,2,4,5-tetrafluoro-3-methylbenzene-6-ide;tungsten(2+)
CID 58185849
(2-butyl-6-methylphenyl)methanamine
CID 163670855
1,3,5-tributyl-2,4,6-trimethylbenzene
CID 123628431
4-(2,3,5,6-tetrafluoro-4-pentylphenyl)aniline
CID 15938619
(3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine
CID 66643513

Frequently Asked Questions

What is the IUPAC name of (4-butyl-2,3,5,6-tetrafluorophenyl)methanamine?
The IUPAC name of (4-butyl-2,3,5,6-tetrafluorophenyl)methanamine (CID 19433019) is (4-butyl-2,3,5,6-tetrafluorophenyl)methanamine.
What is the SMILES notation for (4-butyl-2,3,5,6-tetrafluorophenyl)methanamine?
The canonical SMILES for (4-butyl-2,3,5,6-tetrafluorophenyl)methanamine is CCCCc1c(F)c(F)c(CN)c(F)c1F.
What is the InChIKey of (4-butyl-2,3,5,6-tetrafluorophenyl)methanamine?
The InChIKey is OOYUHDIAWWKLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4N/c1-2-3-4-6-8(12)10(14)7(5-16)11(15)9(6)13/h2-5,16H2,1H3.
What are the key properties of (4-butyl-2,3,5,6-tetrafluorophenyl)methanamine?
(4-butyl-2,3,5,6-tetrafluorophenyl)methanamine has a molecular weight of 235.22 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butyl-2,3,5,6-tetrafluorophenyl)methanamine is sourced from PubChem (CID 19433019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).