2-(3-fluoroanilino)-2-propylpentan-1-ol

C14H22FNO — CID 61047713

IUPAC2-(3-fluoroanilino)-2-propylpentan-1-ol
SMILESCCCC(CO)(CCC)Nc1cccc(F)c1
InChIInChI=1S/C14H22FNO/c1-3-8-14(11-17,9-4-2)16-13-7-5-6-12(15)10-13/h5-7,10,16-17H,3-4,8-9,11H2,1-2H3
InChIKeyZVPNJESVYPOMMG-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.57
Rot. Bonds7

About 2-(3-fluoroanilino)-2-propylpentan-1-ol

2-(3-fluoroanilino)-2-propylpentan-1-ol (PubChem CID 61047713) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-2-propylpentan-1-ol.

Molecular Properties

Compound Name2-(3-fluoroanilino)-2-propylpentan-1-ol
PubChem CID61047713
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name2-(3-fluoroanilino)-2-propylpentan-1-ol
SMILESCCCC(CO)(CCC)Nc1cccc(F)c1
InChIInChI=1S/C14H22FNO/c1-3-8-14(11-17,9-4-2)16-13-7-5-6-12(15)10-13/h5-7,10,16-17H,3-4,8-9,11H2,1-2H3
InChIKeyZVPNJESVYPOMMG-UHFFFAOYSA-N
XLogP3.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-2-propylpentan-1-ol?
The IUPAC name of 2-(3-fluoroanilino)-2-propylpentan-1-ol (CID 61047713) is 2-(3-fluoroanilino)-2-propylpentan-1-ol.
What is the SMILES notation for 2-(3-fluoroanilino)-2-propylpentan-1-ol?
The canonical SMILES for 2-(3-fluoroanilino)-2-propylpentan-1-ol is CCCC(CO)(CCC)Nc1cccc(F)c1.
What is the InChIKey of 2-(3-fluoroanilino)-2-propylpentan-1-ol?
The InChIKey is ZVPNJESVYPOMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-3-8-14(11-17,9-4-2)16-13-7-5-6-12(15)10-13/h5-7,10,16-17H,3-4,8-9,11H2,1-2H3.
What are the key properties of 2-(3-fluoroanilino)-2-propylpentan-1-ol?
2-(3-fluoroanilino)-2-propylpentan-1-ol has a molecular weight of 239.33 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroanilino)-2-propylpentan-1-ol is sourced from PubChem (CID 61047713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).