(2R)-1-fluoro-3-phenoxypropan-2-ol

C9H11FO2 — CID 100942917

IUPAC(2R)-1-fluoro-3-phenoxypropan-2-ol
SMILESO[C@@H](CF)COc1ccccc1
InChIInChI=1S/C9H11FO2/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-5,8,11H,6-7H2/t8-/m0/s1
InChIKeySXNKJLLKDWVVLG-QMMMGPOBSA-N
MW170.18 g/mol
LogP1.40
Rot. Bonds4

About (2R)-1-fluoro-3-phenoxypropan-2-ol

(2R)-1-fluoro-3-phenoxypropan-2-ol (PubChem CID 100942917) has the molecular formula C9H11FO2 and a molecular weight of 170.18 g/mol. Its IUPAC name is (2R)-1-fluoro-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-fluoro-3-phenoxypropan-2-ol
PubChem CID100942917
Molecular FormulaC9H11FO2
Molecular Weight170.18 g/mol
Exact Mass170.07
IUPAC Name(2R)-1-fluoro-3-phenoxypropan-2-ol
SMILESO[C@@H](CF)COc1ccccc1
InChIInChI=1S/C9H11FO2/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-5,8,11H,6-7H2/t8-/m0/s1
InChIKeySXNKJLLKDWVVLG-QMMMGPOBSA-N
XLogP1.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenoxypropane-1,2-diol
CID 158587241
3-phenoxypropane-1,2-diol
CID 10857
actinium;3-phenoxypropane-1,2-diol
CID 22981458
1-aminooxy-3-phenoxypropan-2-ol
CID 13273091
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
4-(3-fluoro-2-hydroxypropoxy)benzoic acid
CID 155165109
1-(iodoamino)-3-phenoxypropan-2-ol
CID 89357647
1-[2-[bis(2-hydroxy-3-phenoxypropyl)amino]ethyl-(2-hydroxy-3-phenoxypropyl)amino]-3-phenoxypropan-2-ol
CID 4019354
4-amino-1-phenoxyhex-5-en-2-ol
CID 70488948
2,3-difluoropropoxybenzene
CID 141126062
2-(phenoxymethyl)propane-1,1,3,3-tetrol
CID 173269975
1-(2-hydroxyethoxy)-3-phenoxypropan-2-ol
CID 70425205

Frequently Asked Questions

What is the IUPAC name of (2R)-1-fluoro-3-phenoxypropan-2-ol?
The IUPAC name of (2R)-1-fluoro-3-phenoxypropan-2-ol (CID 100942917) is (2R)-1-fluoro-3-phenoxypropan-2-ol.
What is the SMILES notation for (2R)-1-fluoro-3-phenoxypropan-2-ol?
The canonical SMILES for (2R)-1-fluoro-3-phenoxypropan-2-ol is O[C@@H](CF)COc1ccccc1.
What is the InChIKey of (2R)-1-fluoro-3-phenoxypropan-2-ol?
The InChIKey is SXNKJLLKDWVVLG-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H11FO2/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-5,8,11H,6-7H2/t8-/m0/s1.
What are the key properties of (2R)-1-fluoro-3-phenoxypropan-2-ol?
(2R)-1-fluoro-3-phenoxypropan-2-ol has a molecular weight of 170.18 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-fluoro-3-phenoxypropan-2-ol is sourced from PubChem (CID 100942917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).