2,3,5,6-tetrafluoro-N-(3-fluoropropyl)aniline

C9H8F5N — CID 107644218

IUPAC2,3,5,6-tetrafluoro-N-(3-fluoropropyl)aniline
SMILESFCCCNc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C9H8F5N/c10-2-1-3-15-9-7(13)5(11)4-6(12)8(9)14/h4,15H,1-3H2
InChIKeyRSNFPVMUJJATBL-UHFFFAOYSA-N
MW225.16 g/mol
LogP3.01
Rot. Bonds4

About 2,3,5,6-tetrafluoro-N-(3-fluoropropyl)aniline

2,3,5,6-tetrafluoro-N-(3-fluoropropyl)aniline (PubChem CID 107644218) has the molecular formula C9H8F5N and a molecular weight of 225.16 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-(3-fluoropropyl)aniline.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-(3-fluoropropyl)aniline
PubChem CID107644218
Molecular FormulaC9H8F5N
Molecular Weight225.16 g/mol
Exact Mass225.06
IUPAC Name2,3,5,6-tetrafluoro-N-(3-fluoropropyl)aniline
SMILESFCCCNc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C9H8F5N/c10-2-1-3-15-9-7(13)5(11)4-6(12)8(9)14/h4,15H,1-3H2
InChIKeyRSNFPVMUJJATBL-UHFFFAOYSA-N
XLogP3.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.16
LogP ≤ 53.01
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

5-(2,3,5,6-tetrafluoroanilino)pentan-1-ol
CID 107644364
2,3,5,6-tetrafluoro-N-pent-4-enylaniline
CID 107644383
2,3,5,6-tetrafluoro-N-(3,3,3-trifluoropropyl)aniline
CID 107644296
2,6-dichloro-4-fluoro-N-(3-fluoropropyl)aniline
CID 83079484
5-bromo-2,4-difluoro-N-(3-fluoropropyl)aniline
CID 102853522
N-(2-butoxyethyl)-2,3,5,6-tetrafluoroaniline
CID 107644359
3,5-difluoro-1-N-(3-fluoropropyl)benzene-1,2-diamine
CID 130503893
2,4-difluoro-N-(3-fluoropropyl)aniline
CID 81106316
5-chloro-2-fluoro-N-(3-fluoropropyl)aniline
CID 81107052
2-chloro-5-fluoro-N-(3-fluoropropyl)aniline
CID 107528126
tert-butyl N-[2-(2,3,5,6-tetrafluoroanilino)ethyl]carbamate
CID 107644133
2-N-(2,3,5,6-tetrafluorophenyl)propane-1,2-diamine
CID 107643986

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-(3-fluoropropyl)aniline?
The IUPAC name of 2,3,5,6-tetrafluoro-N-(3-fluoropropyl)aniline (CID 107644218) is 2,3,5,6-tetrafluoro-N-(3-fluoropropyl)aniline.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-(3-fluoropropyl)aniline?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-(3-fluoropropyl)aniline is FCCCNc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-(3-fluoropropyl)aniline?
The InChIKey is RSNFPVMUJJATBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F5N/c10-2-1-3-15-9-7(13)5(11)4-6(12)8(9)14/h4,15H,1-3H2.
What are the key properties of 2,3,5,6-tetrafluoro-N-(3-fluoropropyl)aniline?
2,3,5,6-tetrafluoro-N-(3-fluoropropyl)aniline has a molecular weight of 225.16 g/mol, XLogP of 3.01, 4 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-N-(3-fluoropropyl)aniline is sourced from PubChem (CID 107644218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).