5-amino-4-[4-(difluoromethyl)phenyl]pentan-2-ol

C12H17F2NO — CID 115525865

IUPAC5-amino-4-[4-(difluoromethyl)phenyl]pentan-2-ol
SMILESCC(O)CC(CN)c1ccc(C(F)F)cc1
InChIInChI=1S/C12H17F2NO/c1-8(16)6-11(7-15)9-2-4-10(5-3-9)12(13)14/h2-5,8,11-12,16H,6-7,15H2,1H3
InChIKeyRRQXOSWKJJNWHH-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.44
Rot. Bonds5

About 5-amino-4-[4-(difluoromethyl)phenyl]pentan-2-ol

5-amino-4-[4-(difluoromethyl)phenyl]pentan-2-ol (PubChem CID 115525865) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 5-amino-4-[4-(difluoromethyl)phenyl]pentan-2-ol.

Molecular Properties

Compound Name5-amino-4-[4-(difluoromethyl)phenyl]pentan-2-ol
PubChem CID115525865
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name5-amino-4-[4-(difluoromethyl)phenyl]pentan-2-ol
SMILESCC(O)CC(CN)c1ccc(C(F)F)cc1
InChIInChI=1S/C12H17F2NO/c1-8(16)6-11(7-15)9-2-4-10(5-3-9)12(13)14/h2-5,8,11-12,16H,6-7,15H2,1H3
InChIKeyRRQXOSWKJJNWHH-UHFFFAOYSA-N
XLogP2.44
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[4-(difluoromethyl)phenyl]pentan-2-ol?
The IUPAC name of 5-amino-4-[4-(difluoromethyl)phenyl]pentan-2-ol (CID 115525865) is 5-amino-4-[4-(difluoromethyl)phenyl]pentan-2-ol.
What is the SMILES notation for 5-amino-4-[4-(difluoromethyl)phenyl]pentan-2-ol?
The canonical SMILES for 5-amino-4-[4-(difluoromethyl)phenyl]pentan-2-ol is CC(O)CC(CN)c1ccc(C(F)F)cc1.
What is the InChIKey of 5-amino-4-[4-(difluoromethyl)phenyl]pentan-2-ol?
The InChIKey is RRQXOSWKJJNWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-8(16)6-11(7-15)9-2-4-10(5-3-9)12(13)14/h2-5,8,11-12,16H,6-7,15H2,1H3.
What are the key properties of 5-amino-4-[4-(difluoromethyl)phenyl]pentan-2-ol?
5-amino-4-[4-(difluoromethyl)phenyl]pentan-2-ol has a molecular weight of 229.27 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[4-(difluoromethyl)phenyl]pentan-2-ol is sourced from PubChem (CID 115525865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).