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

C11H15F2NO — CID 116861706

IUPAC4-amino-4-(2,5-difluorophenyl)pentan-1-ol
SMILESCC(N)(CCCO)c1cc(F)ccc1F
InChIInChI=1S/C11H15F2NO/c1-11(14,5-2-6-15)9-7-8(12)3-4-10(9)13/h3-4,7,15H,2,5-6,14H2,1H3
InChIKeyPBJWCRYWPFUFTR-UHFFFAOYSA-N
MW215.24 g/mol
LogP1.91
Rot. Bonds4

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

4-amino-4-(2,5-difluorophenyl)pentan-1-ol (PubChem CID 116861706) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 4-amino-4-(2,5-difluorophenyl)pentan-1-ol.

Molecular Properties

Compound Name4-amino-4-(2,5-difluorophenyl)pentan-1-ol
PubChem CID116861706
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name4-amino-4-(2,5-difluorophenyl)pentan-1-ol
SMILESCC(N)(CCCO)c1cc(F)ccc1F
InChIInChI=1S/C11H15F2NO/c1-11(14,5-2-6-15)9-7-8(12)3-4-10(9)13/h3-4,7,15H,2,5-6,14H2,1H3
InChIKeyPBJWCRYWPFUFTR-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-chlorophenyl)sulfonyl-5-(2,5-difluorophenyl)hexan-1-ol
CID 23028783
3-amino-3-(2-chloro-4-fluorophenyl)butan-1-ol
CID 65239967
2-(2,5-difluorophenyl)-2-fluoropropan-1-ol
CID 105425213
2-amino-2-(2-amino-5-fluorophenyl)propan-1-ol
CID 55294956
1-amino-2-(2,5-difluorophenyl)propan-2-ol
CID 62773185
2-amino-2-[5-fluoro-2-(hydroxymethyl)phenyl]propan-1-ol
CID 130041449
4-amino-4-(2,4-dimethylphenyl)pentan-1-ol
CID 116861683
2-[2-(2,5-difluorophenyl)propan-2-yl]-1,4-difluorobenzene
CID 90465421
4-(5-fluoro-2-methoxyphenyl)pentane-1,4-diol
CID 116861530
2-(2,5-difluorophenyl)-3,3-dimethylbutan-2-ol
CID 115401141
3-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 79838092
4-(2,5-difluorophenyl)heptan-4-ol
CID 114866152

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(2,5-difluorophenyl)pentan-1-ol?
The IUPAC name of 4-amino-4-(2,5-difluorophenyl)pentan-1-ol (CID 116861706) is 4-amino-4-(2,5-difluorophenyl)pentan-1-ol.
What is the SMILES notation for 4-amino-4-(2,5-difluorophenyl)pentan-1-ol?
The canonical SMILES for 4-amino-4-(2,5-difluorophenyl)pentan-1-ol is CC(N)(CCCO)c1cc(F)ccc1F.
What is the InChIKey of 4-amino-4-(2,5-difluorophenyl)pentan-1-ol?
The InChIKey is PBJWCRYWPFUFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-11(14,5-2-6-15)9-7-8(12)3-4-10(9)13/h3-4,7,15H,2,5-6,14H2,1H3.
What are the key properties of 4-amino-4-(2,5-difluorophenyl)pentan-1-ol?
4-amino-4-(2,5-difluorophenyl)pentan-1-ol has a molecular weight of 215.24 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(2,5-difluorophenyl)pentan-1-ol is sourced from PubChem (CID 116861706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).