(4R)-5-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-5,5-difluoro-4-methylpentan-1-ol

C14H20F3NO — CID 155479457

IUPAC(4R)-5-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-5,5-difluoro-4-methylpentan-1-ol
SMILESC[C@H](CCCO)C(F)(F)c1cccc([C@@H](C)N)c1F
InChIInChI=1S/C14H20F3NO/c1-9(5-4-8-19)14(16,17)12-7-3-6-11(10(2)18)13(12)15/h3,6-7,9-10,19H,4-5,8,18H2,1-2H3/t9-,10-/m1/s1
InChIKeyAZOABLBDCQARHJ-NXEZZACHSA-N
MW275.31 g/mol
LogP3.35
Rot. Bonds6

About (4R)-5-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-5,5-difluoro-4-methylpentan-1-ol

(4R)-5-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-5,5-difluoro-4-methylpentan-1-ol (PubChem CID 155479457) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is (4R)-5-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-5,5-difluoro-4-methylpentan-1-ol.

Molecular Properties

Compound Name(4R)-5-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-5,5-difluoro-4-methylpentan-1-ol
PubChem CID155479457
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name(4R)-5-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-5,5-difluoro-4-methylpentan-1-ol
SMILESC[C@H](CCCO)C(F)(F)c1cccc([C@@H](C)N)c1F
InChIInChI=1S/C14H20F3NO/c1-9(5-4-8-19)14(16,17)12-7-3-6-11(10(2)18)13(12)15/h3,6-7,9-10,19H,4-5,8,18H2,1-2H3/t9-,10-/m1/s1
InChIKeyAZOABLBDCQARHJ-NXEZZACHSA-N
XLogP3.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4R)-5-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-5,5-difluoro-4-methylpentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-5-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-5,5-difluoro-4-methylpentan-1-ol?
The IUPAC name of (4R)-5-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-5,5-difluoro-4-methylpentan-1-ol (CID 155479457) is (4R)-5-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-5,5-difluoro-4-methylpentan-1-ol.
What is the SMILES notation for (4R)-5-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-5,5-difluoro-4-methylpentan-1-ol?
The canonical SMILES for (4R)-5-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-5,5-difluoro-4-methylpentan-1-ol is C[C@H](CCCO)C(F)(F)c1cccc([C@@H](C)N)c1F.
What is the InChIKey of (4R)-5-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-5,5-difluoro-4-methylpentan-1-ol?
The InChIKey is AZOABLBDCQARHJ-NXEZZACHSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-9(5-4-8-19)14(16,17)12-7-3-6-11(10(2)18)13(12)15/h3,6-7,9-10,19H,4-5,8,18H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of (4R)-5-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-5,5-difluoro-4-methylpentan-1-ol?
(4R)-5-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-5,5-difluoro-4-methylpentan-1-ol has a molecular weight of 275.31 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-5,5-difluoro-4-methylpentan-1-ol is sourced from PubChem (CID 155479457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).