3-amino-1-(3-bromo-2,6-difluorophenyl)cyclopentan-1-ol

C11H12BrF2NO — CID 106941420

IUPAC3-amino-1-(3-bromo-2,6-difluorophenyl)cyclopentan-1-ol
SMILESNC1CCC(O)(c2c(F)ccc(Br)c2F)C1
InChIInChI=1S/C11H12BrF2NO/c12-7-1-2-8(13)9(10(7)14)11(16)4-3-6(15)5-11/h1-2,6,16H,3-5,15H2
InChIKeyMDLSLGYRTLULGP-UHFFFAOYSA-N
MW292.12 g/mol
LogP2.43
Rot. Bonds1

About 3-amino-1-(3-bromo-2,6-difluorophenyl)cyclopentan-1-ol

3-amino-1-(3-bromo-2,6-difluorophenyl)cyclopentan-1-ol (PubChem CID 106941420) has the molecular formula C11H12BrF2NO and a molecular weight of 292.12 g/mol. Its IUPAC name is 3-amino-1-(3-bromo-2,6-difluorophenyl)cyclopentan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-bromo-2,6-difluorophenyl)cyclopentan-1-ol
PubChem CID106941420
Molecular FormulaC11H12BrF2NO
Molecular Weight292.12 g/mol
Exact Mass291.01
IUPAC Name3-amino-1-(3-bromo-2,6-difluorophenyl)cyclopentan-1-ol
SMILESNC1CCC(O)(c2c(F)ccc(Br)c2F)C1
InChIInChI=1S/C11H12BrF2NO/c12-7-1-2-8(13)9(10(7)14)11(16)4-3-6(15)5-11/h1-2,6,16H,3-5,15H2
InChIKeyMDLSLGYRTLULGP-UHFFFAOYSA-N
XLogP2.43
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Rac-(1s,3s)-3-amino-1-(4-bromophenyl)cyclobutan-1-ol
CID 67076295
3-Amino-1-(5-bromo-2-fluorophenyl)propan-1-ol
CID 65184403
(S)-1-Amino-2-(5-bromo-2-fluoro-phenyl)-propan-2-ol
CID 66666122
1-Amino-2-(5-bromo-2-fluorophenyl)propan-2-ol
CID 66666123
3-Amino-1-(5-bromo-2-fluorophenyl)-4,4-difluorobutan-1-ol
CID 177742352
2-Amino-1-(3-bromo-2,4-difluorophenyl)-1-phenylethanol
CID 178596170
3-Amino-1-(5-bromo-2-fluorophenyl)-2-methylpropan-1-ol
CID 60734381
1-Amino-2-(3-bromo-4-fluorophenyl)propan-2-ol
CID 62915927
2-(Aminomethyl)-1-(5-bromo-2-fluorophenyl)-3-methylbutan-1-ol
CID 65185238
2-(Aminomethyl)-1-(5-bromo-2-fluorophenyl)butan-1-ol
CID 65187910
4-Amino-1-(3-bromo-4-fluorophenyl)-2-methylbutan-2-ol
CID 65986206
4-Amino-1-(5-bromo-2-fluorophenyl)-2-methylbutan-2-ol
CID 65987425

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-bromo-2,6-difluorophenyl)cyclopentan-1-ol?
The IUPAC name of 3-amino-1-(3-bromo-2,6-difluorophenyl)cyclopentan-1-ol (CID 106941420) is 3-amino-1-(3-bromo-2,6-difluorophenyl)cyclopentan-1-ol.
What is the SMILES notation for 3-amino-1-(3-bromo-2,6-difluorophenyl)cyclopentan-1-ol?
The canonical SMILES for 3-amino-1-(3-bromo-2,6-difluorophenyl)cyclopentan-1-ol is NC1CCC(O)(c2c(F)ccc(Br)c2F)C1.
What is the InChIKey of 3-amino-1-(3-bromo-2,6-difluorophenyl)cyclopentan-1-ol?
The InChIKey is MDLSLGYRTLULGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2NO/c12-7-1-2-8(13)9(10(7)14)11(16)4-3-6(15)5-11/h1-2,6,16H,3-5,15H2.
What are the key properties of 3-amino-1-(3-bromo-2,6-difluorophenyl)cyclopentan-1-ol?
3-amino-1-(3-bromo-2,6-difluorophenyl)cyclopentan-1-ol has a molecular weight of 292.12 g/mol, XLogP of 2.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-bromo-2,6-difluorophenyl)cyclopentan-1-ol is sourced from PubChem (CID 106941420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).