1-amino-4-(2,5-difluorophenyl)pentan-2-ol

C11H15F2NO — CID 83936130

IUPAC1-amino-4-(2,5-difluorophenyl)pentan-2-ol
SMILESCC(CC(O)CN)c1cc(F)ccc1F
InChIInChI=1S/C11H15F2NO/c1-7(4-9(15)6-14)10-5-8(12)2-3-11(10)13/h2-3,5,7,9,15H,4,6,14H2,1H3
InChIKeyMUVNCRGTWBRPJF-UHFFFAOYSA-N
MW215.24 g/mol
LogP1.78
Rot. Bonds4

About 1-amino-4-(2,5-difluorophenyl)pentan-2-ol

1-amino-4-(2,5-difluorophenyl)pentan-2-ol (PubChem CID 83936130) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 1-amino-4-(2,5-difluorophenyl)pentan-2-ol.

Molecular Properties

Compound Name1-amino-4-(2,5-difluorophenyl)pentan-2-ol
PubChem CID83936130
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name1-amino-4-(2,5-difluorophenyl)pentan-2-ol
SMILESCC(CC(O)CN)c1cc(F)ccc1F
InChIInChI=1S/C11H15F2NO/c1-7(4-9(15)6-14)10-5-8(12)2-3-11(10)13/h2-3,5,7,9,15H,4,6,14H2,1H3
InChIKeyMUVNCRGTWBRPJF-UHFFFAOYSA-N
XLogP1.78
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol
CID 83933928
1-amino-4-(5-fluoro-2-propoxyphenyl)pentan-2-ol
CID 83944229
2-(4-bromopentan-2-yl)-1,4-difluorobenzene
CID 64720370
4-(2,5-difluorophenyl)-N-methylpentan-2-amine
CID 64720969
1-(2,5-difluorophenyl)-3-methylbutan-1-ol
CID 61100112
3-[2-amino-1-(2,5-difluorophenyl)ethoxy]butan-2-ol
CID 103377013
2-amino-1-(2,5-difluorophenyl)ethanethiol
CID 116868604
3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 64989517
(1R)-3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 93182256
(1R,2R)-1-amino-1-(2,5-difluorophenyl)propan-2-ol
CID 130697354
1-(2,5-difluorophenyl)-3,5-dimethylhexan-1-ol
CID 114200459
1-amino-4-(2-ethoxy-5-fluorophenyl)hexan-2-ol
CID 83944097

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(2,5-difluorophenyl)pentan-2-ol?
The IUPAC name of 1-amino-4-(2,5-difluorophenyl)pentan-2-ol (CID 83936130) is 1-amino-4-(2,5-difluorophenyl)pentan-2-ol.
What is the SMILES notation for 1-amino-4-(2,5-difluorophenyl)pentan-2-ol?
The canonical SMILES for 1-amino-4-(2,5-difluorophenyl)pentan-2-ol is CC(CC(O)CN)c1cc(F)ccc1F.
What is the InChIKey of 1-amino-4-(2,5-difluorophenyl)pentan-2-ol?
The InChIKey is MUVNCRGTWBRPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-7(4-9(15)6-14)10-5-8(12)2-3-11(10)13/h2-3,5,7,9,15H,4,6,14H2,1H3.
What are the key properties of 1-amino-4-(2,5-difluorophenyl)pentan-2-ol?
1-amino-4-(2,5-difluorophenyl)pentan-2-ol has a molecular weight of 215.24 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(2,5-difluorophenyl)pentan-2-ol is sourced from PubChem (CID 83936130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).