[(2S)-2-fluoropent-4-enoxy]methylbenzene

C12H15FO — CID 166140557

IUPAC[(2S)-2-fluoropent-4-enoxy]methylbenzene
SMILESC=CC[C@H](F)COCc1ccccc1
InChIInChI=1S/C12H15FO/c1-2-6-12(13)10-14-9-11-7-4-3-5-8-11/h2-5,7-8,12H,1,6,9-10H2/t12-/m0/s1
InChIKeyIMUBRPZRUOHYCP-LBPRGKRZSA-N
MW194.25 g/mol
LogP3.12
Rot. Bonds6

About [(2S)-2-fluoropent-4-enoxy]methylbenzene

[(2S)-2-fluoropent-4-enoxy]methylbenzene (PubChem CID 166140557) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is [(2S)-2-fluoropent-4-enoxy]methylbenzene.

Molecular Properties

Compound Name[(2S)-2-fluoropent-4-enoxy]methylbenzene
PubChem CID166140557
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Name[(2S)-2-fluoropent-4-enoxy]methylbenzene
SMILESC=CC[C@H](F)COCc1ccccc1
InChIInChI=1S/C12H15FO/c1-2-6-12(13)10-14-9-11-7-4-3-5-8-11/h2-5,7-8,12H,1,6,9-10H2/t12-/m0/s1
InChIKeyIMUBRPZRUOHYCP-LBPRGKRZSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoropropoxymethylbenzene
CID 86233522
[(2R)-2-(iodomethyl)pent-4-enoxy]methylbenzene
CID 42611473
2-fluorobutoxymethylbenzene
CID 121368179
[(2R)-3-chloro-2-fluoropropoxy]methylbenzene
CID 69067716
1-phenylmethoxypent-4-en-2-ylhydrazine
CID 131026578
(2S,3S)-N-benzyl-1,2-bis(phenylmethoxy)hex-5-en-3-amine
CID 101218139
(2R,3S)-4-phenylmethoxy-2-prop-2-enylbutane-1,3-diol
CID 13355189
[(2S)-1-phenylmethoxypent-4-en-2-yl] prop-2-enoate
CID 10514563
ethane;2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyacetaldehyde
CID 144540878
(2S)-N-benzyl-1-phenylmethoxybut-3-en-2-amine
CID 23583582
[(2S)-2-fluoro-3-phenylmethoxypropyl] sulfite
CID 89164243
N-methyl-2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyethanimine
CID 144540879

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-fluoropent-4-enoxy]methylbenzene?
The IUPAC name of [(2S)-2-fluoropent-4-enoxy]methylbenzene (CID 166140557) is [(2S)-2-fluoropent-4-enoxy]methylbenzene.
What is the SMILES notation for [(2S)-2-fluoropent-4-enoxy]methylbenzene?
The canonical SMILES for [(2S)-2-fluoropent-4-enoxy]methylbenzene is C=CC[C@H](F)COCc1ccccc1.
What is the InChIKey of [(2S)-2-fluoropent-4-enoxy]methylbenzene?
The InChIKey is IMUBRPZRUOHYCP-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H15FO/c1-2-6-12(13)10-14-9-11-7-4-3-5-8-11/h2-5,7-8,12H,1,6,9-10H2/t12-/m0/s1.
What are the key properties of [(2S)-2-fluoropent-4-enoxy]methylbenzene?
[(2S)-2-fluoropent-4-enoxy]methylbenzene has a molecular weight of 194.25 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-fluoropent-4-enoxy]methylbenzene is sourced from PubChem (CID 166140557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).