1-(3-bromophenyl)-3,3-difluorocyclopentan-1-amine

C11H12BrF2N — CID 115051018

IUPAC1-(3-bromophenyl)-3,3-difluorocyclopentan-1-amine
SMILESNC1(c2cccc(Br)c2)CCC(F)(F)C1
InChIInChI=1S/C11H12BrF2N/c12-9-3-1-2-8(6-9)10(15)4-5-11(13,14)7-10/h1-3,6H,4-5,7,15H2
InChIKeyZICWPZAZHFICMQ-UHFFFAOYSA-N
MW276.12 g/mol
LogP3.42
Rot. Bonds1

About 1-(3-bromophenyl)-3,3-difluorocyclopentan-1-amine

1-(3-bromophenyl)-3,3-difluorocyclopentan-1-amine (PubChem CID 115051018) has the molecular formula C11H12BrF2N and a molecular weight of 276.12 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3,3-difluorocyclopentan-1-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-3,3-difluorocyclopentan-1-amine
PubChem CID115051018
Molecular FormulaC11H12BrF2N
Molecular Weight276.12 g/mol
Exact Mass275.01
IUPAC Name1-(3-bromophenyl)-3,3-difluorocyclopentan-1-amine
SMILESNC1(c2cccc(Br)c2)CCC(F)(F)C1
InChIInChI=1S/C11H12BrF2N/c12-9-3-1-2-8(6-9)10(15)4-5-11(13,14)7-10/h1-3,6H,4-5,7,15H2
InChIKeyZICWPZAZHFICMQ-UHFFFAOYSA-N
XLogP3.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromophenyl)cyclopropan-1-amine
CID 11127564
1-(3-chlorophenyl)-3,3-difluorocyclopentan-1-amine
CID 115038563
1-(3-chlorophenyl)-3,3-difluorocyclobutan-1-amine
CID 105471866
1-(3-bromophenyl)-3,3-difluorocyclobutane-1-carbohydrazide
CID 155749454
1-bromo-3-[1-(trifluoromethyl)cyclopropyl]benzene
CID 86277431
1-(3-fluorophenyl)cyclopropan-1-amine;hydrochloride
CID 53256538
3-fluoro-1-(3-methoxyphenyl)-3-methylcyclopentan-1-amine
CID 115034038
2-[1-(3-bromophenyl)-3,3-difluorocyclobutyl]acetohydrazide
CID 139350236
diamino-[1-(3-bromophenyl)cyclopropyl]methanol
CID 123168907
[2-(3-bromophenyl)spiro[3.4]octan-2-yl]methanamine
CID 65003118
1-bromo-3-[1-(methylsulfanylmethyl)cyclopropyl]benzene
CID 115047980
3-(1-aminocyclopropyl)phenol
CID 55296554

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3,3-difluorocyclopentan-1-amine?
The IUPAC name of 1-(3-bromophenyl)-3,3-difluorocyclopentan-1-amine (CID 115051018) is 1-(3-bromophenyl)-3,3-difluorocyclopentan-1-amine.
What is the SMILES notation for 1-(3-bromophenyl)-3,3-difluorocyclopentan-1-amine?
The canonical SMILES for 1-(3-bromophenyl)-3,3-difluorocyclopentan-1-amine is NC1(c2cccc(Br)c2)CCC(F)(F)C1.
What is the InChIKey of 1-(3-bromophenyl)-3,3-difluorocyclopentan-1-amine?
The InChIKey is ZICWPZAZHFICMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2N/c12-9-3-1-2-8(6-9)10(15)4-5-11(13,14)7-10/h1-3,6H,4-5,7,15H2.
What are the key properties of 1-(3-bromophenyl)-3,3-difluorocyclopentan-1-amine?
1-(3-bromophenyl)-3,3-difluorocyclopentan-1-amine has a molecular weight of 276.12 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3,3-difluorocyclopentan-1-amine is sourced from PubChem (CID 115051018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).