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

C11H13ClFNO — CID 112653138

IUPAC3-amino-1-[(2-chloro-3-fluorophenyl)methyl]cyclobutan-1-ol
SMILESNC1CC(O)(Cc2cccc(F)c2Cl)C1
InChIInChI=1S/C11H13ClFNO/c12-10-7(2-1-3-9(10)13)4-11(15)5-8(14)6-11/h1-3,8,15H,4-6,14H2
InChIKeyNGERFGYNSYUPDU-UHFFFAOYSA-N
MW229.68 g/mol
LogP1.87
Rot. Bonds2

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

3-amino-1-[(2-chloro-3-fluorophenyl)methyl]cyclobutan-1-ol (PubChem CID 112653138) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 3-amino-1-[(2-chloro-3-fluorophenyl)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-amino-1-[(2-chloro-3-fluorophenyl)methyl]cyclobutan-1-ol
PubChem CID112653138
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name3-amino-1-[(2-chloro-3-fluorophenyl)methyl]cyclobutan-1-ol
SMILESNC1CC(O)(Cc2cccc(F)c2Cl)C1
InChIInChI=1S/C11H13ClFNO/c12-10-7(2-1-3-9(10)13)4-11(15)5-8(14)6-11/h1-3,8,15H,4-6,14H2
InChIKeyNGERFGYNSYUPDU-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-[(2-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine
CID 112655178
1-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
CID 112653078
1-[(2-chloro-3-fluorophenyl)methyl]-3-cyclopropylcyclohexan-1-ol
CID 112653080
1-[(2-chloro-3-fluorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
CID 115983401
1-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429837
3-amino-1-(naphthalen-1-ylmethyl)cyclobutan-1-ol
CID 80561260
3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclobutan-1-ol
CID 102617389
7-[(2-chloro-3-fluorophenyl)methyl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
CID 112653152
3-[(2-chloro-3-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-ol
CID 112652969
[3-[(2-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methanamine
CID 112654253
3-amino-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol
CID 67983841
[1-[(2-chloro-3-fluorophenyl)methyl]cyclopropyl]methanamine
CID 112654232

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(2-chloro-3-fluorophenyl)methyl]cyclobutan-1-ol?
The IUPAC name of 3-amino-1-[(2-chloro-3-fluorophenyl)methyl]cyclobutan-1-ol (CID 112653138) is 3-amino-1-[(2-chloro-3-fluorophenyl)methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-amino-1-[(2-chloro-3-fluorophenyl)methyl]cyclobutan-1-ol?
The canonical SMILES for 3-amino-1-[(2-chloro-3-fluorophenyl)methyl]cyclobutan-1-ol is NC1CC(O)(Cc2cccc(F)c2Cl)C1.
What is the InChIKey of 3-amino-1-[(2-chloro-3-fluorophenyl)methyl]cyclobutan-1-ol?
The InChIKey is NGERFGYNSYUPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c12-10-7(2-1-3-9(10)13)4-11(15)5-8(14)6-11/h1-3,8,15H,4-6,14H2.
What are the key properties of 3-amino-1-[(2-chloro-3-fluorophenyl)methyl]cyclobutan-1-ol?
3-amino-1-[(2-chloro-3-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-3-fluorophenyl)methyl]cyclobutan-1-ol is sourced from PubChem (CID 112653138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).