2-(2-fluoroanilino)-2,5-dimethylhexan-1-ol

C14H22FNO — CID 61049721

IUPAC2-(2-fluoroanilino)-2,5-dimethylhexan-1-ol
SMILESCC(C)CCC(C)(CO)Nc1ccccc1F
InChIInChI=1S/C14H22FNO/c1-11(2)8-9-14(3,10-17)16-13-7-5-4-6-12(13)15/h4-7,11,16-17H,8-10H2,1-3H3
InChIKeyIIUBQZYNCKCXPY-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.42
Rot. Bonds6

About 2-(2-fluoroanilino)-2,5-dimethylhexan-1-ol

2-(2-fluoroanilino)-2,5-dimethylhexan-1-ol (PubChem CID 61049721) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-2,5-dimethylhexan-1-ol.

Molecular Properties

Compound Name2-(2-fluoroanilino)-2,5-dimethylhexan-1-ol
PubChem CID61049721
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name2-(2-fluoroanilino)-2,5-dimethylhexan-1-ol
SMILESCC(C)CCC(C)(CO)Nc1ccccc1F
InChIInChI=1S/C14H22FNO/c1-11(2)8-9-14(3,10-17)16-13-7-5-4-6-12(13)15/h4-7,11,16-17H,8-10H2,1-3H3
InChIKeyIIUBQZYNCKCXPY-UHFFFAOYSA-N
XLogP3.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 130509283
N-(4,7-dimethyloctan-4-yl)-2-fluoro-4-propan-2-ylaniline
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2-(2-fluoroanilino)-2-pyridin-2-ylpropan-1-ol
CID 61050104
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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-2,5-dimethylhexan-1-ol?
The IUPAC name of 2-(2-fluoroanilino)-2,5-dimethylhexan-1-ol (CID 61049721) is 2-(2-fluoroanilino)-2,5-dimethylhexan-1-ol.
What is the SMILES notation for 2-(2-fluoroanilino)-2,5-dimethylhexan-1-ol?
The canonical SMILES for 2-(2-fluoroanilino)-2,5-dimethylhexan-1-ol is CC(C)CCC(C)(CO)Nc1ccccc1F.
What is the InChIKey of 2-(2-fluoroanilino)-2,5-dimethylhexan-1-ol?
The InChIKey is IIUBQZYNCKCXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-11(2)8-9-14(3,10-17)16-13-7-5-4-6-12(13)15/h4-7,11,16-17H,8-10H2,1-3H3.
What are the key properties of 2-(2-fluoroanilino)-2,5-dimethylhexan-1-ol?
2-(2-fluoroanilino)-2,5-dimethylhexan-1-ol has a molecular weight of 239.33 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-2,5-dimethylhexan-1-ol is sourced from PubChem (CID 61049721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).