2-fluorobutoxymethylbenzene

C11H15FO — CID 121368179

IUPAC2-fluorobutoxymethylbenzene
SMILESCCC(F)COCc1ccccc1
InChIInChI=1S/C11H15FO/c1-2-11(12)9-13-8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKeyPBHSVHSIVNBURD-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.95
Rot. Bonds5

About 2-fluorobutoxymethylbenzene

2-fluorobutoxymethylbenzene (PubChem CID 121368179) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is 2-fluorobutoxymethylbenzene.

Molecular Properties

Compound Name2-fluorobutoxymethylbenzene
PubChem CID121368179
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name2-fluorobutoxymethylbenzene
SMILESCCC(F)COCc1ccccc1
InChIInChI=1S/C11H15FO/c1-2-11(12)9-13-8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKeyPBHSVHSIVNBURD-UHFFFAOYSA-N
XLogP2.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-difluoropropoxymethylbenzene
CID 86233522
[(2R)-3-chloro-2-fluoropropoxy]methylbenzene
CID 69067716
[(2S)-2-fluoropent-4-enoxy]methylbenzene
CID 166140557
1-phenylmethoxy-2-(phenylmethoxymethyl)pentan-3-ol
CID 11688242
(2-ethyl-3-methylbutoxy)methylbenzene
CID 90754542
[(2S)-2-fluoro-3-phenylmethoxypropyl] sulfite
CID 89164243
(2R)-N,N-dimethyl-1-phenylmethoxypropan-2-amine
CID 165125005
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(213C)ethoxymethylbenzene
CID 87947851
(2-fluoro-3-phenylmethoxypropyl) trifluoromethanesulfonate
CID 76649585
1,1-difluoro-N-(1-phenylmethoxypropan-2-yl)propan-2-amine
CID 130950125
ethane;phenylmethoxymethylbenzene
CID 90943549

Frequently Asked Questions

What is the IUPAC name of 2-fluorobutoxymethylbenzene?
The IUPAC name of 2-fluorobutoxymethylbenzene (CID 121368179) is 2-fluorobutoxymethylbenzene.
What is the SMILES notation for 2-fluorobutoxymethylbenzene?
The canonical SMILES for 2-fluorobutoxymethylbenzene is CCC(F)COCc1ccccc1.
What is the InChIKey of 2-fluorobutoxymethylbenzene?
The InChIKey is PBHSVHSIVNBURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO/c1-2-11(12)9-13-8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3.
What are the key properties of 2-fluorobutoxymethylbenzene?
2-fluorobutoxymethylbenzene has a molecular weight of 182.24 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorobutoxymethylbenzene is sourced from PubChem (CID 121368179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).