4-[(2R,3R)-3-amino-4-fluoro-3-methylbutan-2-yl]phenol

C11H16FNO — CID 163467451

IUPAC4-[(2R,3R)-3-amino-4-fluoro-3-methylbutan-2-yl]phenol
SMILESC[C@H](c1ccc(O)cc1)[C@@](C)(N)CF
InChIInChI=1S/C11H16FNO/c1-8(11(2,13)7-12)9-3-5-10(14)6-4-9/h3-6,8,14H,7,13H2,1-2H3/t8-,11+/m1/s1
InChIKeyYJUJMHAXFCHLGT-KCJUWKMLSA-N
MW197.25 g/mol
LogP2.18
Rot. Bonds3

About 4-[(2R,3R)-3-amino-4-fluoro-3-methylbutan-2-yl]phenol

4-[(2R,3R)-3-amino-4-fluoro-3-methylbutan-2-yl]phenol (PubChem CID 163467451) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 4-[(2R,3R)-3-amino-4-fluoro-3-methylbutan-2-yl]phenol.

Molecular Properties

Compound Name4-[(2R,3R)-3-amino-4-fluoro-3-methylbutan-2-yl]phenol
PubChem CID163467451
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name4-[(2R,3R)-3-amino-4-fluoro-3-methylbutan-2-yl]phenol
SMILESC[C@H](c1ccc(O)cc1)[C@@](C)(N)CF
InChIInChI=1S/C11H16FNO/c1-8(11(2,13)7-12)9-3-5-10(14)6-4-9/h3-6,8,14H,7,13H2,1-2H3/t8-,11+/m1/s1
InChIKeyYJUJMHAXFCHLGT-KCJUWKMLSA-N
XLogP2.18
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R,3R)-3-amino-4-fluoro-3-methylbutan-2-yl]phenol?
The IUPAC name of 4-[(2R,3R)-3-amino-4-fluoro-3-methylbutan-2-yl]phenol (CID 163467451) is 4-[(2R,3R)-3-amino-4-fluoro-3-methylbutan-2-yl]phenol.
What is the SMILES notation for 4-[(2R,3R)-3-amino-4-fluoro-3-methylbutan-2-yl]phenol?
The canonical SMILES for 4-[(2R,3R)-3-amino-4-fluoro-3-methylbutan-2-yl]phenol is C[C@H](c1ccc(O)cc1)[C@@](C)(N)CF.
What is the InChIKey of 4-[(2R,3R)-3-amino-4-fluoro-3-methylbutan-2-yl]phenol?
The InChIKey is YJUJMHAXFCHLGT-KCJUWKMLSA-N. The full InChI is InChI=1S/C11H16FNO/c1-8(11(2,13)7-12)9-3-5-10(14)6-4-9/h3-6,8,14H,7,13H2,1-2H3/t8-,11+/m1/s1.
What are the key properties of 4-[(2R,3R)-3-amino-4-fluoro-3-methylbutan-2-yl]phenol?
4-[(2R,3R)-3-amino-4-fluoro-3-methylbutan-2-yl]phenol has a molecular weight of 197.25 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,3R)-3-amino-4-fluoro-3-methylbutan-2-yl]phenol is sourced from PubChem (CID 163467451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).