[3-[(3-chloro-4-fluorophenyl)methyl]oxetan-3-yl]methanol

C11H12ClFO2 — CID 116930381

IUPAC[3-[(3-chloro-4-fluorophenyl)methyl]oxetan-3-yl]methanol
SMILESOCC1(Cc2ccc(F)c(Cl)c2)COC1
InChIInChI=1S/C11H12ClFO2/c12-9-3-8(1-2-10(9)13)4-11(5-14)6-15-7-11/h1-3,14H,4-7H2
InChIKeyXBHADONNDIORTI-UHFFFAOYSA-N
MW230.67 g/mol
LogP2.03
Rot. Bonds3

About [3-[(3-chloro-4-fluorophenyl)methyl]oxetan-3-yl]methanol

[3-[(3-chloro-4-fluorophenyl)methyl]oxetan-3-yl]methanol (PubChem CID 116930381) has the molecular formula C11H12ClFO2 and a molecular weight of 230.67 g/mol. Its IUPAC name is [3-[(3-chloro-4-fluorophenyl)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(3-chloro-4-fluorophenyl)methyl]oxetan-3-yl]methanol
PubChem CID116930381
Molecular FormulaC11H12ClFO2
Molecular Weight230.67 g/mol
Exact Mass230.05
IUPAC Name[3-[(3-chloro-4-fluorophenyl)methyl]oxetan-3-yl]methanol
SMILESOCC1(Cc2ccc(F)c(Cl)c2)COC1
InChIInChI=1S/C11H12ClFO2/c12-9-3-8(1-2-10(9)13)4-11(5-14)6-15-7-11/h1-3,14H,4-7H2
InChIKeyXBHADONNDIORTI-UHFFFAOYSA-N
XLogP2.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(bromomethyl)-4-[(3-chloro-4-fluorophenyl)methyl]oxane
CID 103042052
[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)oxetan-3-yl]methanol
CID 116930311
[4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxan-4-yl]methanol
CID 86814252
3-[(3-chloro-4-fluorophenyl)methyl]oxan-3-ol
CID 103039030
2-chloro-4-[[1-(chloromethyl)cyclobutyl]methyl]-1-fluorobenzene
CID 103042016
[1-[(4-chloro-3-fluorophenyl)methyl]cyclopentyl]methanol
CID 107894887
[1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclopropyl]methanol
CID 115454369
1-[(3-chloro-4-fluorophenyl)methyl]cyclobutan-1-ol
CID 103039079
[1-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methanol
CID 114013678
3-[(3-chloro-4-fluorophenyl)methyl]-3-(chloromethyl)bicyclo[3.1.0]hexane
CID 103042099
[3-[(2,5-dichlorophenyl)methyl]oxolan-3-yl]methanol
CID 66060289
4-[(4-chloro-3-fluorophenyl)methyl]-4-(chloromethyl)oxane
CID 107893120

Frequently Asked Questions

What is the IUPAC name of [3-[(3-chloro-4-fluorophenyl)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[(3-chloro-4-fluorophenyl)methyl]oxetan-3-yl]methanol (CID 116930381) is [3-[(3-chloro-4-fluorophenyl)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[(3-chloro-4-fluorophenyl)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[(3-chloro-4-fluorophenyl)methyl]oxetan-3-yl]methanol is OCC1(Cc2ccc(F)c(Cl)c2)COC1.
What is the InChIKey of [3-[(3-chloro-4-fluorophenyl)methyl]oxetan-3-yl]methanol?
The InChIKey is XBHADONNDIORTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO2/c12-9-3-8(1-2-10(9)13)4-11(5-14)6-15-7-11/h1-3,14H,4-7H2.
What are the key properties of [3-[(3-chloro-4-fluorophenyl)methyl]oxetan-3-yl]methanol?
[3-[(3-chloro-4-fluorophenyl)methyl]oxetan-3-yl]methanol has a molecular weight of 230.67 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-chloro-4-fluorophenyl)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 116930381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).