5-(2,3,5,6-tetrafluoroanilino)pentan-1-ol

C11H13F4NO — CID 107644364

IUPAC5-(2,3,5,6-tetrafluoroanilino)pentan-1-ol
SMILESOCCCCCNc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C11H13F4NO/c12-7-6-8(13)10(15)11(9(7)14)16-4-2-1-3-5-17/h6,16-17H,1-5H2
InChIKeyBZIHYWILSCGYKC-UHFFFAOYSA-N
MW251.22 g/mol
LogP2.82
Rot. Bonds6

About 5-(2,3,5,6-tetrafluoroanilino)pentan-1-ol

5-(2,3,5,6-tetrafluoroanilino)pentan-1-ol (PubChem CID 107644364) has the molecular formula C11H13F4NO and a molecular weight of 251.22 g/mol. Its IUPAC name is 5-(2,3,5,6-tetrafluoroanilino)pentan-1-ol.

Molecular Properties

Compound Name5-(2,3,5,6-tetrafluoroanilino)pentan-1-ol
PubChem CID107644364
Molecular FormulaC11H13F4NO
Molecular Weight251.22 g/mol
Exact Mass251.09
IUPAC Name5-(2,3,5,6-tetrafluoroanilino)pentan-1-ol
SMILESOCCCCCNc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C11H13F4NO/c12-7-6-8(13)10(15)11(9(7)14)16-4-2-1-3-5-17/h6,16-17H,1-5H2
InChIKeyBZIHYWILSCGYKC-UHFFFAOYSA-N
XLogP2.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2,3,5,6-tetrafluoro-N-(3-fluoropropyl)aniline
CID 107644218
2,3,5,6-tetrafluoro-N-pent-4-enylaniline
CID 107644383
4-(2-chloro-4,6-difluoroanilino)butan-1-ol
CID 83081105
4-(2,3-difluoro-6-nitroanilino)butan-1-ol
CID 106842471
3-(6-amino-2,3-difluoroanilino)propan-1-ol
CID 62532991
2,3,5,6-tetrafluoro-N-(3,3,3-trifluoropropyl)aniline
CID 107644296
5-(2-fluoroanilino)pentan-1-ol
CID 62227332
5-(2,6-dibromo-4-methylanilino)pentan-1-ol
CID 62226962
5-(3,5-dichloroanilino)pentan-1-ol
CID 62227515
10-anilinodecan-1-ol
CID 10955954
6-(3,4,5-trifluorophenyl)hexan-1-ol
CID 174855228
3-(2,6-difluoroanilino)propan-1-ol;ethane
CID 156637319

Frequently Asked Questions

What is the IUPAC name of 5-(2,3,5,6-tetrafluoroanilino)pentan-1-ol?
The IUPAC name of 5-(2,3,5,6-tetrafluoroanilino)pentan-1-ol (CID 107644364) is 5-(2,3,5,6-tetrafluoroanilino)pentan-1-ol.
What is the SMILES notation for 5-(2,3,5,6-tetrafluoroanilino)pentan-1-ol?
The canonical SMILES for 5-(2,3,5,6-tetrafluoroanilino)pentan-1-ol is OCCCCCNc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 5-(2,3,5,6-tetrafluoroanilino)pentan-1-ol?
The InChIKey is BZIHYWILSCGYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4NO/c12-7-6-8(13)10(15)11(9(7)14)16-4-2-1-3-5-17/h6,16-17H,1-5H2.
What are the key properties of 5-(2,3,5,6-tetrafluoroanilino)pentan-1-ol?
5-(2,3,5,6-tetrafluoroanilino)pentan-1-ol has a molecular weight of 251.22 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,5,6-tetrafluoroanilino)pentan-1-ol is sourced from PubChem (CID 107644364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).