3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclobutan-1-ol

C11H13ClFNO — CID 102617389

IUPAC3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclobutan-1-ol
SMILESNC1CC(O)(Cc2cc(F)ccc2Cl)C1
InChIInChI=1S/C11H13ClFNO/c12-10-2-1-8(13)3-7(10)4-11(15)5-9(14)6-11/h1-3,9,15H,4-6,14H2
InChIKeyJTZOZNCIFOSQCQ-UHFFFAOYSA-N
MW229.68 g/mol
LogP1.87
Rot. Bonds2

About 3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclobutan-1-ol

3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclobutan-1-ol (PubChem CID 102617389) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclobutan-1-ol
PubChem CID102617389
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclobutan-1-ol
SMILESNC1CC(O)(Cc2cc(F)ccc2Cl)C1
InChIInChI=1S/C11H13ClFNO/c12-10-2-1-8(13)3-7(10)4-11(15)5-9(14)6-11/h1-3,9,15H,4-6,14H2
InChIKeyJTZOZNCIFOSQCQ-UHFFFAOYSA-N
XLogP1.87
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-ol
CID 102617388
3-amino-1-[(5-fluoro-2-methylphenyl)methyl]cyclobutan-1-ol
CID 105372944
3-[(2-chloro-5-fluorophenyl)methyl]azetidin-3-ol
CID 102617348
3-[(2-chloro-5-fluorophenyl)methyl]-3-fluorocyclopentan-1-amine
CID 102622008
3-amino-1-[(2-chloro-3-fluorophenyl)methyl]cyclobutan-1-ol
CID 112653138
3-[(2-chloro-4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 65145900
[1-[(2-chloro-5-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine
CID 102621042
3-amino-1-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-ol
CID 114346957
4-[(2-chloro-5-fluorophenyl)methyl]oxan-4-amine
CID 102617544
1-[(2-chloro-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 102617497
1-[(2-chloro-5-fluorophenyl)methyl]-N-methylcyclopropan-1-amine
CID 83689412
1-[(2-chloro-5-fluorophenyl)methyl]cyclohex-2-en-1-ol
CID 102617456

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclobutan-1-ol?
The IUPAC name of 3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclobutan-1-ol (CID 102617389) is 3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclobutan-1-ol?
The canonical SMILES for 3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclobutan-1-ol is NC1CC(O)(Cc2cc(F)ccc2Cl)C1.
What is the InChIKey of 3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclobutan-1-ol?
The InChIKey is JTZOZNCIFOSQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c12-10-2-1-8(13)3-7(10)4-11(15)5-9(14)6-11/h1-3,9,15H,4-6,14H2.
What are the key properties of 3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclobutan-1-ol?
3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclobutan-1-ol has a molecular weight of 229.68 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclobutan-1-ol is sourced from PubChem (CID 102617389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).