3-[4-(chloromethyl)phenyl]-3-fluorooxetane

C10H10ClFO — CID 154577102

IUPAC3-[4-(chloromethyl)phenyl]-3-fluorooxetane
SMILESFC1(c2ccc(CCl)cc2)COC1
InChIInChI=1S/C10H10ClFO/c11-5-8-1-3-9(4-2-8)10(12)6-13-7-10/h1-4H,5-7H2
InChIKeyVTWGNIOSHIDBOM-UHFFFAOYSA-N
MW200.64 g/mol
LogP2.62
Rot. Bonds2

About 3-[4-(chloromethyl)phenyl]-3-fluorooxetane

3-[4-(chloromethyl)phenyl]-3-fluorooxetane (PubChem CID 154577102) has the molecular formula C10H10ClFO and a molecular weight of 200.64 g/mol. Its IUPAC name is 3-[4-(chloromethyl)phenyl]-3-fluorooxetane.

Molecular Properties

Compound Name3-[4-(chloromethyl)phenyl]-3-fluorooxetane
PubChem CID154577102
Molecular FormulaC10H10ClFO
Molecular Weight200.64 g/mol
Exact Mass200.04
IUPAC Name3-[4-(chloromethyl)phenyl]-3-fluorooxetane
SMILESFC1(c2ccc(CCl)cc2)COC1
InChIInChI=1S/C10H10ClFO/c11-5-8-1-3-9(4-2-8)10(12)6-13-7-10/h1-4H,5-7H2
InChIKeyVTWGNIOSHIDBOM-UHFFFAOYSA-N
XLogP2.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.64
LogP ≤ 52.62
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

3-Phenyloxetane
CID 11789254
3-(4-Tert-butylphenyl)-3-fluorooxetane
CID 138971634
(1-Chloro-3-methoxypropyl)benzene
CID 592345
Methoxymethylbenzyl chloride
CID 14269118
3-Chloro-2-phenylpropan-1-ol
CID 235756
(R)-7-chloro-3-fluoro-3-phenylheptan-1-ol
CID 138375703
[3-(2-Chloroethoxy)-1-fluoropropyl]benzene
CID 177852981
(3-Chloro-3-methoxypropyl)benzene
CID 11159715
2-Chloro-2-methoxyethylbenzene
CID 13570119
(2-(Chloromethoxy)ethyl)benzene
CID 14640434
3-(3-Chlorophenyl)oxetane
CID 25033688
3-(p-Tolyl)oxetane
CID 68057091

Frequently Asked Questions

What is the IUPAC name of 3-[4-(chloromethyl)phenyl]-3-fluorooxetane?
The IUPAC name of 3-[4-(chloromethyl)phenyl]-3-fluorooxetane (CID 154577102) is 3-[4-(chloromethyl)phenyl]-3-fluorooxetane.
What is the SMILES notation for 3-[4-(chloromethyl)phenyl]-3-fluorooxetane?
The canonical SMILES for 3-[4-(chloromethyl)phenyl]-3-fluorooxetane is FC1(c2ccc(CCl)cc2)COC1.
What is the InChIKey of 3-[4-(chloromethyl)phenyl]-3-fluorooxetane?
The InChIKey is VTWGNIOSHIDBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO/c11-5-8-1-3-9(4-2-8)10(12)6-13-7-10/h1-4H,5-7H2.
What are the key properties of 3-[4-(chloromethyl)phenyl]-3-fluorooxetane?
3-[4-(chloromethyl)phenyl]-3-fluorooxetane has a molecular weight of 200.64 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(chloromethyl)phenyl]-3-fluorooxetane is sourced from PubChem (CID 154577102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).