3-amino-1-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol

C11H12BrClFNO — CID 106761472

IUPAC3-amino-1-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol
SMILESNC1CCC(O)(c2ccc(Br)c(Cl)c2F)C1
InChIInChI=1S/C11H12BrClFNO/c12-8-2-1-7(10(14)9(8)13)11(16)4-3-6(15)5-11/h1-2,6,16H,3-5,15H2
InChIKeyXBMOGLXATKTFCO-UHFFFAOYSA-N
MW308.58 g/mol
LogP2.94
Rot. Bonds1

About 3-amino-1-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol

3-amino-1-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol (PubChem CID 106761472) has the molecular formula C11H12BrClFNO and a molecular weight of 308.58 g/mol. Its IUPAC name is 3-amino-1-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol
PubChem CID106761472
Molecular FormulaC11H12BrClFNO
Molecular Weight308.58 g/mol
Exact Mass306.98
IUPAC Name3-amino-1-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol
SMILESNC1CCC(O)(c2ccc(Br)c(Cl)c2F)C1
InChIInChI=1S/C11H12BrClFNO/c12-8-2-1-7(10(14)9(8)13)11(16)4-3-6(15)5-11/h1-2,6,16H,3-5,15H2
InChIKeyXBMOGLXATKTFCO-UHFFFAOYSA-N
XLogP2.94
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.58
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-Amino-1-(5-bromo-2-fluorophenyl)cyclopentan-1-ol
CID 80561847
3-Amino-1-(4-bromo-3-chlorophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 81307863
3-Amino-1-(4-bromo-3-chlorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 81308052
3-Amino-1-(4-bromo-3-chlorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 81308149
3-Amino-1-(4-bromo-5-chloro-2-fluorophenyl)propan-1-ol
CID 84812508
2-Amino-1-(4-bromo-5-chloro-2-fluorophenyl)propan-1-ol
CID 84812512
3-Amino-1-(3-bromo-2-fluorophenyl)cyclopentan-1-ol
CID 106644507
1-(4-Bromo-3-chloro-2-fluorophenyl)cyclopentanol
CID 106761220
4-(4-Bromo-3-chloro-2-fluorophenyl)-1-propan-2-ylpiperidin-4-ol
CID 106761253
4-(4-Bromo-3-chloro-2-fluorophenyl)piperidin-4-ol
CID 106761263
3-(4-Bromo-3-chloro-2-fluorophenyl)piperidin-3-ol
CID 106761270
3-(4-Bromo-3-chloro-2-fluorophenyl)pyrrolidin-3-ol
CID 106761271

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol?
The IUPAC name of 3-amino-1-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol (CID 106761472) is 3-amino-1-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol.
What is the SMILES notation for 3-amino-1-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol?
The canonical SMILES for 3-amino-1-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol is NC1CCC(O)(c2ccc(Br)c(Cl)c2F)C1.
What is the InChIKey of 3-amino-1-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol?
The InChIKey is XBMOGLXATKTFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClFNO/c12-8-2-1-7(10(14)9(8)13)11(16)4-3-6(15)5-11/h1-2,6,16H,3-5,15H2.
What are the key properties of 3-amino-1-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol?
3-amino-1-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol has a molecular weight of 308.58 g/mol, XLogP of 2.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol is sourced from PubChem (CID 106761472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).