1-[(4-chloro-2-fluorophenyl)methyl]cyclobutan-1-ol

C11H12ClFO — CID 114852385

IUPAC1-[(4-chloro-2-fluorophenyl)methyl]cyclobutan-1-ol
SMILESOC1(Cc2ccc(Cl)cc2F)CCC1
InChIInChI=1S/C11H12ClFO/c12-9-3-2-8(10(13)6-9)7-11(14)4-1-5-11/h2-3,6,14H,1,4-5,7H2
InChIKeyGFJUBJJTJHZGGA-UHFFFAOYSA-N
MW214.67 g/mol
LogP2.94
Rot. Bonds2

About 1-[(4-chloro-2-fluorophenyl)methyl]cyclobutan-1-ol

1-[(4-chloro-2-fluorophenyl)methyl]cyclobutan-1-ol (PubChem CID 114852385) has the molecular formula C11H12ClFO and a molecular weight of 214.67 g/mol. Its IUPAC name is 1-[(4-chloro-2-fluorophenyl)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[(4-chloro-2-fluorophenyl)methyl]cyclobutan-1-ol
PubChem CID114852385
Molecular FormulaC11H12ClFO
Molecular Weight214.67 g/mol
Exact Mass214.06
IUPAC Name1-[(4-chloro-2-fluorophenyl)methyl]cyclobutan-1-ol
SMILESOC1(Cc2ccc(Cl)cc2F)CCC1
InChIInChI=1S/C11H12ClFO/c12-9-3-2-8(10(13)6-9)7-11(14)4-1-5-11/h2-3,6,14H,1,4-5,7H2
InChIKeyGFJUBJJTJHZGGA-UHFFFAOYSA-N
XLogP2.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(4-chloro-2-fluorophenyl)methyl]-1-methylazepan-4-ol
CID 114852273
3-[(4-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-ol
CID 114852550
4-[(4-chloro-2-fluorophenyl)methyl]-1-ethylazepan-4-ol
CID 114852276
1-[(2-bromo-4-chlorophenyl)methyl]cyclobutan-1-ol
CID 162351024
4-tert-butyl-1-[(4-chloro-2-fluorophenyl)methyl]cycloheptan-1-ol
CID 114852298
4-chloro-1-[[1-(chloromethyl)cyclopentyl]methyl]-2-fluorobenzene
CID 114861894
2-[(4-chloro-2-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 114851797
1-[(4-chloro-2-fluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol
CID 114861684
1-[(2,5-dichlorophenyl)methyl]cyclopentan-1-ol
CID 65316755
1-[(4-chloro-2-fluorophenyl)methyl]cycloheptan-1-amine
CID 114853412
1-[(4-chloro-2-fluorophenyl)methyl]cyclohex-2-en-1-ol
CID 114852720
1-[(3-chloro-4-fluorophenyl)methyl]cyclobutan-1-ol
CID 103039079

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]cyclobutan-1-ol?
The IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]cyclobutan-1-ol (CID 114852385) is 1-[(4-chloro-2-fluorophenyl)methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[(4-chloro-2-fluorophenyl)methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[(4-chloro-2-fluorophenyl)methyl]cyclobutan-1-ol is OC1(Cc2ccc(Cl)cc2F)CCC1.
What is the InChIKey of 1-[(4-chloro-2-fluorophenyl)methyl]cyclobutan-1-ol?
The InChIKey is GFJUBJJTJHZGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO/c12-9-3-2-8(10(13)6-9)7-11(14)4-1-5-11/h2-3,6,14H,1,4-5,7H2.
What are the key properties of 1-[(4-chloro-2-fluorophenyl)methyl]cyclobutan-1-ol?
1-[(4-chloro-2-fluorophenyl)methyl]cyclobutan-1-ol has a molecular weight of 214.67 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-fluorophenyl)methyl]cyclobutan-1-ol is sourced from PubChem (CID 114852385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).