1-(5-chloro-2-fluoroanilino)-3-hexoxypropan-2-ol

C15H23ClFNO2 — CID 60908651

IUPAC1-(5-chloro-2-fluoroanilino)-3-hexoxypropan-2-ol
SMILESCCCCCCOCC(O)CNc1cc(Cl)ccc1F
InChIInChI=1S/C15H23ClFNO2/c1-2-3-4-5-8-20-11-13(19)10-18-15-9-12(16)6-7-14(15)17/h6-7,9,13,18-19H,2-5,8,10-11H2,1H3
InChIKeyQGIHEBJRIKMSIU-UHFFFAOYSA-N
MW303.80 g/mol
LogP3.85
Rot. Bonds10

About 1-(5-chloro-2-fluoroanilino)-3-hexoxypropan-2-ol

1-(5-chloro-2-fluoroanilino)-3-hexoxypropan-2-ol (PubChem CID 60908651) has the molecular formula C15H23ClFNO2 and a molecular weight of 303.80 g/mol. Its IUPAC name is 1-(5-chloro-2-fluoroanilino)-3-hexoxypropan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-2-fluoroanilino)-3-hexoxypropan-2-ol
PubChem CID60908651
Molecular FormulaC15H23ClFNO2
Molecular Weight303.80 g/mol
Exact Mass303.14
IUPAC Name1-(5-chloro-2-fluoroanilino)-3-hexoxypropan-2-ol
SMILESCCCCCCOCC(O)CNc1cc(Cl)ccc1F
InChIInChI=1S/C15H23ClFNO2/c1-2-3-4-5-8-20-11-13(19)10-18-15-9-12(16)6-7-14(15)17/h6-7,9,13,18-19H,2-5,8,10-11H2,1H3
InChIKeyQGIHEBJRIKMSIU-UHFFFAOYSA-N
XLogP3.85
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.80
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dichloroanilino)-3-hexoxypropan-2-ol
CID 63487906
1-(5-bromo-2-fluoroanilino)-3-hexoxypropan-2-ol
CID 60910056
1-(5-chloro-2-methoxyanilino)-3-hexoxypropan-2-ol
CID 60897922
1-(2-fluoroanilino)-3-hexoxypropan-2-ol
CID 60898941
1-(2,4-difluoroanilino)-3-hexoxypropan-2-ol
CID 60901251
1-(2-butoxyethoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol
CID 60901744
1-(3,4-difluoroanilino)-3-hexoxypropan-2-ol
CID 60898959
1-[4-[(2-hydroxy-3-tricosoxypropyl)amino]anilino]-3-tricosoxypropan-2-ol
CID 155231485
1-(4-bromo-2,3-dichloroanilino)-3-hexoxypropan-2-ol
CID 107788952
1-(2-butoxyethoxy)-3-(2-chloro-5-fluoroanilino)propan-2-ol
CID 107528089
1-butoxy-3-[2-[(3-butoxy-2-hydroxypropyl)amino]anilino]propan-2-ol
CID 155231393
2,3-bis[(3-decoxy-2-hydroxypropyl)amino]phenol
CID 155231458

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluoroanilino)-3-hexoxypropan-2-ol?
The IUPAC name of 1-(5-chloro-2-fluoroanilino)-3-hexoxypropan-2-ol (CID 60908651) is 1-(5-chloro-2-fluoroanilino)-3-hexoxypropan-2-ol.
What is the SMILES notation for 1-(5-chloro-2-fluoroanilino)-3-hexoxypropan-2-ol?
The canonical SMILES for 1-(5-chloro-2-fluoroanilino)-3-hexoxypropan-2-ol is CCCCCCOCC(O)CNc1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluoroanilino)-3-hexoxypropan-2-ol?
The InChIKey is QGIHEBJRIKMSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFNO2/c1-2-3-4-5-8-20-11-13(19)10-18-15-9-12(16)6-7-14(15)17/h6-7,9,13,18-19H,2-5,8,10-11H2,1H3.
What are the key properties of 1-(5-chloro-2-fluoroanilino)-3-hexoxypropan-2-ol?
1-(5-chloro-2-fluoroanilino)-3-hexoxypropan-2-ol has a molecular weight of 303.80 g/mol, XLogP of 3.85, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluoroanilino)-3-hexoxypropan-2-ol is sourced from PubChem (CID 60908651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).