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

C17H17F4N — CID 15938619

IUPAC4-(2,3,5,6-tetrafluoro-4-pentylphenyl)aniline
SMILESCCCCCc1c(F)c(F)c(-c2ccc(N)cc2)c(F)c1F
InChIInChI=1S/C17H17F4N/c1-2-3-4-5-12-14(18)16(20)13(17(21)15(12)19)10-6-8-11(22)9-7-10/h6-9H,2-5,22H2,1H3
InChIKeyHOGGJLXXFIPOQO-UHFFFAOYSA-N
MW311.32 g/mol
LogP5.22
Rot. Bonds5

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

4-(2,3,5,6-tetrafluoro-4-pentylphenyl)aniline (PubChem CID 15938619) has the molecular formula C17H17F4N and a molecular weight of 311.32 g/mol. Its IUPAC name is 4-(2,3,5,6-tetrafluoro-4-pentylphenyl)aniline.

Molecular Properties

Compound Name4-(2,3,5,6-tetrafluoro-4-pentylphenyl)aniline
PubChem CID15938619
Molecular FormulaC17H17F4N
Molecular Weight311.32 g/mol
Exact Mass311.13
IUPAC Name4-(2,3,5,6-tetrafluoro-4-pentylphenyl)aniline
SMILESCCCCCc1c(F)c(F)c(-c2ccc(N)cc2)c(F)c1F
InChIInChI=1S/C17H17F4N/c1-2-3-4-5-12-14(18)16(20)13(17(21)15(12)19)10-6-8-11(22)9-7-10/h6-9H,2-5,22H2,1H3
InChIKeyHOGGJLXXFIPOQO-UHFFFAOYSA-N
XLogP5.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.32
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2,3,5,6-tetrafluoro-4-pentylphenyl)methanamine
CID 19433002
argon;1,2,3,4,5-pentafluoro-6-pentylbenzene;hydrofluoride
CID 158257031
[2,3,5,6-tetrafluoro-4-(4-hexylphenyl)phenyl]hydrazine
CID 15001653
4-dodecylaniline;nonadecane
CID 155059812
4-hexadecylaniline
CID 571906
4-[2-(4-pentylphenyl)ethyl]aniline
CID 130451163
4-(4-aminophenyl)-2-butyl-3-phenylaniline
CID 174875610
4-(4-aminophenyl)-2-pentylaniline
CID 66665137
1,3-difluoro-4,5-dipentyl-2-(4-phenylphenyl)benzene
CID 19107920
2,3-dihexylbenzene-1,4-diamine
CID 18324632
(4-butyl-2,3,5,6-tetrafluorophenyl)methanamine
CID 19433019
4-fluoro-3-pentylbenzene-1,2-diamine
CID 66930645

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,5,6-tetrafluoro-4-pentylphenyl)aniline?
The IUPAC name of 4-(2,3,5,6-tetrafluoro-4-pentylphenyl)aniline (CID 15938619) is 4-(2,3,5,6-tetrafluoro-4-pentylphenyl)aniline.
What is the SMILES notation for 4-(2,3,5,6-tetrafluoro-4-pentylphenyl)aniline?
The canonical SMILES for 4-(2,3,5,6-tetrafluoro-4-pentylphenyl)aniline is CCCCCc1c(F)c(F)c(-c2ccc(N)cc2)c(F)c1F.
What is the InChIKey of 4-(2,3,5,6-tetrafluoro-4-pentylphenyl)aniline?
The InChIKey is HOGGJLXXFIPOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F4N/c1-2-3-4-5-12-14(18)16(20)13(17(21)15(12)19)10-6-8-11(22)9-7-10/h6-9H,2-5,22H2,1H3.
What are the key properties of 4-(2,3,5,6-tetrafluoro-4-pentylphenyl)aniline?
4-(2,3,5,6-tetrafluoro-4-pentylphenyl)aniline has a molecular weight of 311.32 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,5,6-tetrafluoro-4-pentylphenyl)aniline is sourced from PubChem (CID 15938619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).