(4-chloro-2,5-difluorophenyl)-cyclobutylmethanol

C11H11ClF2O — CID 115837947

IUPAC(4-chloro-2,5-difluorophenyl)-cyclobutylmethanol
SMILESOC(c1cc(F)c(Cl)cc1F)C1CCC1
InChIInChI=1S/C11H11ClF2O/c12-8-5-9(13)7(4-10(8)14)11(15)6-2-1-3-6/h4-6,11,15H,1-3H2
InChIKeyRZWZQUVKXHJWHJ-UHFFFAOYSA-N
MW232.66 g/mol
LogP3.45
Rot. Bonds2

About (4-chloro-2,5-difluorophenyl)-cyclobutylmethanol

(4-chloro-2,5-difluorophenyl)-cyclobutylmethanol (PubChem CID 115837947) has the molecular formula C11H11ClF2O and a molecular weight of 232.66 g/mol. Its IUPAC name is (4-chloro-2,5-difluorophenyl)-cyclobutylmethanol.

Molecular Properties

Compound Name(4-chloro-2,5-difluorophenyl)-cyclobutylmethanol
PubChem CID115837947
Molecular FormulaC11H11ClF2O
Molecular Weight232.66 g/mol
Exact Mass232.05
IUPAC Name(4-chloro-2,5-difluorophenyl)-cyclobutylmethanol
SMILESOC(c1cc(F)c(Cl)cc1F)C1CCC1
InChIInChI=1S/C11H11ClF2O/c12-8-5-9(13)7(4-10(8)14)11(15)6-2-1-3-6/h4-6,11,15H,1-3H2
InChIKeyRZWZQUVKXHJWHJ-UHFFFAOYSA-N
XLogP3.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.66
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-4,5-difluorophenyl)-2-cyclobutylethanol
CID 107477114
cyclobutyl-(2-fluoro-4-methylphenyl)methanol
CID 115837888
(4-tert-butylcyclohexyl)-(2-chloro-4,5-difluorophenyl)methanol
CID 107477167
cycloheptyl-(2,5-difluorophenyl)methanol
CID 55091243
(R)-(4-bromo-2-fluorophenyl)-cyclopentylmethanol
CID 96691275
(R)-cycloheptyl-(2,5-difluorophenyl)methanol
CID 94502433
cyclobutyl-(2,3,4-trifluorophenyl)methanol
CID 64986364
(R)-(4-bromo-2-fluorophenyl)-cyclohexylmethanol
CID 97027176
1-(4-chloro-2,5-difluorophenyl)-1-(3-ethylcyclohexyl)-N-methylmethanamine
CID 104992374
N-[(4-chloro-2,5-difluorophenyl)-cyclopentylmethyl]propan-1-amine
CID 115779199
(1R)-1-cyclopentyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]ethanamine
CID 81396255
cyclohexyl-(2-fluoro-4-methylphenyl)methanol
CID 115802084

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2,5-difluorophenyl)-cyclobutylmethanol?
The IUPAC name of (4-chloro-2,5-difluorophenyl)-cyclobutylmethanol (CID 115837947) is (4-chloro-2,5-difluorophenyl)-cyclobutylmethanol.
What is the SMILES notation for (4-chloro-2,5-difluorophenyl)-cyclobutylmethanol?
The canonical SMILES for (4-chloro-2,5-difluorophenyl)-cyclobutylmethanol is OC(c1cc(F)c(Cl)cc1F)C1CCC1.
What is the InChIKey of (4-chloro-2,5-difluorophenyl)-cyclobutylmethanol?
The InChIKey is RZWZQUVKXHJWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF2O/c12-8-5-9(13)7(4-10(8)14)11(15)6-2-1-3-6/h4-6,11,15H,1-3H2.
What are the key properties of (4-chloro-2,5-difluorophenyl)-cyclobutylmethanol?
(4-chloro-2,5-difluorophenyl)-cyclobutylmethanol has a molecular weight of 232.66 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2,5-difluorophenyl)-cyclobutylmethanol is sourced from PubChem (CID 115837947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).