(2R)-2-amino-2-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol

C10H14FNO2 — CID 55271791

IUPAC(2R)-2-amino-2-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol
SMILESC[C@](N)(CO)c1ccc(F)c(CO)c1
InChIInChI=1S/C10H14FNO2/c1-10(12,6-14)8-2-3-9(11)7(4-8)5-13/h2-4,13-14H,5-6,12H2,1H3/t10-/m0/s1
InChIKeyTWNOUODIIBOJCX-JTQLQIEISA-N
MW199.22 g/mol
LogP0.48
Rot. Bonds3

About (2R)-2-amino-2-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol

(2R)-2-amino-2-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol (PubChem CID 55271791) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is (2R)-2-amino-2-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol
PubChem CID55271791
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name(2R)-2-amino-2-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol
SMILESC[C@](N)(CO)c1ccc(F)c(CO)c1
InChIInChI=1S/C10H14FNO2/c1-10(12,6-14)8-2-3-9(11)7(4-8)5-13/h2-4,13-14H,5-6,12H2,1H3/t10-/m0/s1
InChIKeyTWNOUODIIBOJCX-JTQLQIEISA-N
XLogP0.48
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-[(2R)-2-amino-1-hydroxypropan-2-yl]-2-fluorobenzoate
CID 129322866
2-amino-2-[5-fluoro-2-(hydroxymethyl)phenyl]propan-1-ol
CID 130041449
2-[4-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol
CID 117303145
2-(4-fluoro-3-methylphenyl)butan-2-amine
CID 62791443
5-(2-aminopropan-2-yl)-2-(hydroxymethyl)phenol
CID 117278731
(2S)-2-amino-2-(1,3-benzodioxol-5-yl)propan-1-ol
CID 93471595
4-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylbutan-2-amine
CID 83808880
[5-(ethylamino)-2-fluorophenyl]methanol
CID 167978099
2-amino-2-(3-amino-4-bromophenyl)propan-1-ol
CID 130041605
(2R)-2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 66678514
2-amino-2-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol
CID 54979927
(2S)-2-amino-2-(4-bromo-3-chlorophenyl)propan-1-ol
CID 130721867

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol?
The IUPAC name of (2R)-2-amino-2-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol (CID 55271791) is (2R)-2-amino-2-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol?
The canonical SMILES for (2R)-2-amino-2-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol is C[C@](N)(CO)c1ccc(F)c(CO)c1.
What is the InChIKey of (2R)-2-amino-2-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol?
The InChIKey is TWNOUODIIBOJCX-JTQLQIEISA-N. The full InChI is InChI=1S/C10H14FNO2/c1-10(12,6-14)8-2-3-9(11)7(4-8)5-13/h2-4,13-14H,5-6,12H2,1H3/t10-/m0/s1.
What are the key properties of (2R)-2-amino-2-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol?
(2R)-2-amino-2-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol has a molecular weight of 199.22 g/mol, XLogP of 0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol is sourced from PubChem (CID 55271791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).