[(2R)-3-chloro-2-fluoropropoxy]methylbenzene

C10H12ClFO — CID 69067716

IUPAC[(2R)-3-chloro-2-fluoropropoxy]methylbenzene
SMILESF[C@@H](CCl)COCc1ccccc1
InChIInChI=1S/C10H12ClFO/c11-6-10(12)8-13-7-9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m0/s1
InChIKeyZDWCTTWPJGIVSR-JTQLQIEISA-N
MW202.66 g/mol
LogP2.78
Rot. Bonds5

About [(2R)-3-chloro-2-fluoropropoxy]methylbenzene

[(2R)-3-chloro-2-fluoropropoxy]methylbenzene (PubChem CID 69067716) has the molecular formula C10H12ClFO and a molecular weight of 202.66 g/mol. Its IUPAC name is [(2R)-3-chloro-2-fluoropropoxy]methylbenzene.

Molecular Properties

Compound Name[(2R)-3-chloro-2-fluoropropoxy]methylbenzene
PubChem CID69067716
Molecular FormulaC10H12ClFO
Molecular Weight202.66 g/mol
Exact Mass202.06
IUPAC Name[(2R)-3-chloro-2-fluoropropoxy]methylbenzene
SMILESF[C@@H](CCl)COCc1ccccc1
InChIInChI=1S/C10H12ClFO/c11-6-10(12)8-13-7-9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m0/s1
InChIKeyZDWCTTWPJGIVSR-JTQLQIEISA-N
XLogP2.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoropropoxymethylbenzene
CID 86233522
2-fluorobutoxymethylbenzene
CID 121368179
[(2S)-2-fluoropent-4-enoxy]methylbenzene
CID 166140557
[(2S)-2-fluoro-3-phenylmethoxypropyl] sulfite
CID 89164243
dichloromethane;phenylmethoxymethylbenzene
CID 174530379
[2-(chloromethylsulfanyl)-3-phenylmethoxypropoxy]methylbenzene
CID 15612776
1-(1-chloro-3-phenylmethoxypropan-2-yl)-2-methylbenzene
CID 102940982
(2-fluoro-3-phenylmethoxypropyl) trifluoromethanesulfonate
CID 76649585
2,2-dibromoethoxymethylbenzene
CID 14668834
2-phenylmethoxyethane-1,1-diol
CID 59866645
2-(3-fluoro-4-phenylmethoxybutyl)triazole
CID 134462837
[(2R)-1-chloro-3-phenylmethoxypropan-2-yl]oxy-trimethylsilane
CID 71446134

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-chloro-2-fluoropropoxy]methylbenzene?
The IUPAC name of [(2R)-3-chloro-2-fluoropropoxy]methylbenzene (CID 69067716) is [(2R)-3-chloro-2-fluoropropoxy]methylbenzene.
What is the SMILES notation for [(2R)-3-chloro-2-fluoropropoxy]methylbenzene?
The canonical SMILES for [(2R)-3-chloro-2-fluoropropoxy]methylbenzene is F[C@@H](CCl)COCc1ccccc1.
What is the InChIKey of [(2R)-3-chloro-2-fluoropropoxy]methylbenzene?
The InChIKey is ZDWCTTWPJGIVSR-JTQLQIEISA-N. The full InChI is InChI=1S/C10H12ClFO/c11-6-10(12)8-13-7-9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m0/s1.
What are the key properties of [(2R)-3-chloro-2-fluoropropoxy]methylbenzene?
[(2R)-3-chloro-2-fluoropropoxy]methylbenzene has a molecular weight of 202.66 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-chloro-2-fluoropropoxy]methylbenzene is sourced from PubChem (CID 69067716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).