[1-[(2-chloro-6-fluorophenyl)methyl]cyclobutyl]methanol

C12H14ClFO — CID 66024328

IUPAC[1-[(2-chloro-6-fluorophenyl)methyl]cyclobutyl]methanol
SMILESOCC1(Cc2c(F)cccc2Cl)CCC1
InChIInChI=1S/C12H14ClFO/c13-10-3-1-4-11(14)9(10)7-12(8-15)5-2-6-12/h1,3-4,15H,2,5-8H2
InChIKeyGCSZNEPDKWFPGD-UHFFFAOYSA-N
MW228.69 g/mol
LogP3.18
Rot. Bonds3

About [1-[(2-chloro-6-fluorophenyl)methyl]cyclobutyl]methanol

[1-[(2-chloro-6-fluorophenyl)methyl]cyclobutyl]methanol (PubChem CID 66024328) has the molecular formula C12H14ClFO and a molecular weight of 228.69 g/mol. Its IUPAC name is [1-[(2-chloro-6-fluorophenyl)methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(2-chloro-6-fluorophenyl)methyl]cyclobutyl]methanol
PubChem CID66024328
Molecular FormulaC12H14ClFO
Molecular Weight228.69 g/mol
Exact Mass228.07
IUPAC Name[1-[(2-chloro-6-fluorophenyl)methyl]cyclobutyl]methanol
SMILESOCC1(Cc2c(F)cccc2Cl)CCC1
InChIInChI=1S/C12H14ClFO/c13-10-3-1-4-11(14)9(10)7-12(8-15)5-2-6-12/h1,3-4,15H,2,5-8H2
InChIKeyGCSZNEPDKWFPGD-UHFFFAOYSA-N
XLogP3.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.69
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[(2-chloro-6-fluorophenyl)methyl]cyclopentyl]methanol
CID 66026117
[4-butyl-1-[(2-chloro-6-fluorophenyl)methyl]cyclohexyl]methanol
CID 66026724
[1-[(3-chloro-2-fluorophenyl)methyl]cyclopentyl]methanol
CID 102863615
[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]methanol
CID 102863614
[1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293557
[1-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 45189123
[1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanol
CID 103965941
4-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol
CID 62786575
1-[(2-chloro-6-fluorophenyl)methyl]cyclopentane-1-carbonitrile
CID 65377639
1-[(2-chloro-6-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 67421202
N-[[3-[(2-chloro-6-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62718517
[1-[(4-chloro-3-fluorophenyl)methyl]cyclopentyl]methanol
CID 107894887

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-6-fluorophenyl)methyl]cyclobutyl]methanol?
The IUPAC name of [1-[(2-chloro-6-fluorophenyl)methyl]cyclobutyl]methanol (CID 66024328) is [1-[(2-chloro-6-fluorophenyl)methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[(2-chloro-6-fluorophenyl)methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[(2-chloro-6-fluorophenyl)methyl]cyclobutyl]methanol is OCC1(Cc2c(F)cccc2Cl)CCC1.
What is the InChIKey of [1-[(2-chloro-6-fluorophenyl)methyl]cyclobutyl]methanol?
The InChIKey is GCSZNEPDKWFPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFO/c13-10-3-1-4-11(14)9(10)7-12(8-15)5-2-6-12/h1,3-4,15H,2,5-8H2.
What are the key properties of [1-[(2-chloro-6-fluorophenyl)methyl]cyclobutyl]methanol?
[1-[(2-chloro-6-fluorophenyl)methyl]cyclobutyl]methanol has a molecular weight of 228.69 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloro-6-fluorophenyl)methyl]cyclobutyl]methanol is sourced from PubChem (CID 66024328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).