cis-(1R,2R)-2-(4-fluorocyclohexa-2,4-dien-1-yl)cyclopentan-1-amine

C11H16FN — CID 89175972

IUPACcis-(1R,2R)-2-(4-fluorocyclohexa-2,4-dien-1-yl)cyclopentan-1-amine
SMILESN[C@@H]1CCC[C@@H]1C1C=CC(F)=CC1
InChIInChI=1S/C11H16FN/c12-9-6-4-8(5-7-9)10-2-1-3-11(10)13/h4,6-8,10-11H,1-3,5,13H2/t8?,10-,11-/m1/s1
InChIKeyWMPIUIHXJJWSQU-GUJYYOPSSA-N
MW181.25 g/mol
LogP2.54
Rot. Bonds1

About cis-(1R,2R)-2-(4-fluorocyclohexa-2,4-dien-1-yl)cyclopentan-1-amine

cis-(1R,2R)-2-(4-fluorocyclohexa-2,4-dien-1-yl)cyclopentan-1-amine (PubChem CID 89175972) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is cis-(1R,2R)-2-(4-fluorocyclohexa-2,4-dien-1-yl)cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,2R)-2-(4-fluorocyclohexa-2,4-dien-1-yl)cyclopentan-1-amine
PubChem CID89175972
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Namecis-(1R,2R)-2-(4-fluorocyclohexa-2,4-dien-1-yl)cyclopentan-1-amine
SMILESN[C@@H]1CCC[C@@H]1C1C=CC(F)=CC1
InChIInChI=1S/C11H16FN/c12-9-6-4-8(5-7-9)10-2-1-3-11(10)13/h4,6-8,10-11H,1-3,5,13H2/t8?,10-,11-/m1/s1
InChIKeyWMPIUIHXJJWSQU-GUJYYOPSSA-N
XLogP2.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-(4-fluorocyclohexa-2,4-dien-1-yl)cyclopentan-1-amine?
The IUPAC name of cis-(1R,2R)-2-(4-fluorocyclohexa-2,4-dien-1-yl)cyclopentan-1-amine (CID 89175972) is cis-(1R,2R)-2-(4-fluorocyclohexa-2,4-dien-1-yl)cyclopentan-1-amine.
What is the SMILES notation for cis-(1R,2R)-2-(4-fluorocyclohexa-2,4-dien-1-yl)cyclopentan-1-amine?
The canonical SMILES for cis-(1R,2R)-2-(4-fluorocyclohexa-2,4-dien-1-yl)cyclopentan-1-amine is N[C@@H]1CCC[C@@H]1C1C=CC(F)=CC1.
What is the InChIKey of cis-(1R,2R)-2-(4-fluorocyclohexa-2,4-dien-1-yl)cyclopentan-1-amine?
The InChIKey is WMPIUIHXJJWSQU-GUJYYOPSSA-N. The full InChI is InChI=1S/C11H16FN/c12-9-6-4-8(5-7-9)10-2-1-3-11(10)13/h4,6-8,10-11H,1-3,5,13H2/t8?,10-,11-/m1/s1.
What are the key properties of cis-(1R,2R)-2-(4-fluorocyclohexa-2,4-dien-1-yl)cyclopentan-1-amine?
cis-(1R,2R)-2-(4-fluorocyclohexa-2,4-dien-1-yl)cyclopentan-1-amine has a molecular weight of 181.25 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-(4-fluorocyclohexa-2,4-dien-1-yl)cyclopentan-1-amine is sourced from PubChem (CID 89175972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).