cis-(1R,2R)-2-(3,5-difluorocyclohexa-2,4-dien-1-yl)cyclopentan-1-amine

C11H15F2N — CID 89176002

IUPACcis-(1R,2R)-2-(3,5-difluorocyclohexa-2,4-dien-1-yl)cyclopentan-1-amine
SMILESN[C@@H]1CCC[C@@H]1C1C=C(F)C=C(F)C1
InChIInChI=1S/C11H15F2N/c12-8-4-7(5-9(13)6-8)10-2-1-3-11(10)14/h4,6-7,10-11H,1-3,5,14H2/t7?,10-,11-/m1/s1
InChIKeyPTXSNUJFVRZLOO-ABCCIZJZSA-N
MW199.24 g/mol
LogP2.84
Rot. Bonds1

About cis-(1R,2R)-2-(3,5-difluorocyclohexa-2,4-dien-1-yl)cyclopentan-1-amine

cis-(1R,2R)-2-(3,5-difluorocyclohexa-2,4-dien-1-yl)cyclopentan-1-amine (PubChem CID 89176002) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is cis-(1R,2R)-2-(3,5-difluorocyclohexa-2,4-dien-1-yl)cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,2R)-2-(3,5-difluorocyclohexa-2,4-dien-1-yl)cyclopentan-1-amine
PubChem CID89176002
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Namecis-(1R,2R)-2-(3,5-difluorocyclohexa-2,4-dien-1-yl)cyclopentan-1-amine
SMILESN[C@@H]1CCC[C@@H]1C1C=C(F)C=C(F)C1
InChIInChI=1S/C11H15F2N/c12-8-4-7(5-9(13)6-8)10-2-1-3-11(10)14/h4,6-7,10-11H,1-3,5,14H2/t7?,10-,11-/m1/s1
InChIKeyPTXSNUJFVRZLOO-ABCCIZJZSA-N
XLogP2.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-2,3,3a,4,5,6-hexahydro-1H-inden-5-amine
CID 89073624
cis-(1R,2R)-2-(4-fluorocyclohexa-2,4-dien-1-yl)-N-methylcyclopentan-1-amine
CID 89089180
cis-(1R,2R)-2-(4-fluorocyclohexa-2,4-dien-1-yl)cyclopentan-1-amine
CID 89175972
3-(Cyclopentylidenemethyl)-5-(trifluoromethyl)cyclohex-2-en-1-amine
CID 123256765
4,5-difluoro-2,3,7,7a-tetrahydro-1H-inden-1-amine
CID 163953286
1-Cyclopentyl-6-fluorocyclohexa-3,5-diene-1,2-diamine
CID 175535216
3-{Bicyclo[2.2.1]hept-5-en-2-yl}-1,1,1-trifluoropropan-2-amine
CID 165653770
1-{Bicyclo[2.2.1]hept-5-en-2-yl}-2,2-difluoroethan-1-amine
CID 165752511
3-{Bicyclo[2.2.1]hept-5-en-2-yl}-1,1-difluoropropan-2-amine
CID 165785221
1-{Bicyclo[2.2.1]hept-5-en-2-yl}-2,2,2-trifluoroethan-1-amine
CID 165884412
2-[3-(5-Methylcyclohexa-2,4-dien-1-yl)propyl]cyclopentan-1-amine
CID 142067911
2-[(Cyclohex-3-en-1-yl)methyl]cyclopentan-1-amine
CID 164655853

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-(3,5-difluorocyclohexa-2,4-dien-1-yl)cyclopentan-1-amine?
The IUPAC name of cis-(1R,2R)-2-(3,5-difluorocyclohexa-2,4-dien-1-yl)cyclopentan-1-amine (CID 89176002) is cis-(1R,2R)-2-(3,5-difluorocyclohexa-2,4-dien-1-yl)cyclopentan-1-amine.
What is the SMILES notation for cis-(1R,2R)-2-(3,5-difluorocyclohexa-2,4-dien-1-yl)cyclopentan-1-amine?
The canonical SMILES for cis-(1R,2R)-2-(3,5-difluorocyclohexa-2,4-dien-1-yl)cyclopentan-1-amine is N[C@@H]1CCC[C@@H]1C1C=C(F)C=C(F)C1.
What is the InChIKey of cis-(1R,2R)-2-(3,5-difluorocyclohexa-2,4-dien-1-yl)cyclopentan-1-amine?
The InChIKey is PTXSNUJFVRZLOO-ABCCIZJZSA-N. The full InChI is InChI=1S/C11H15F2N/c12-8-4-7(5-9(13)6-8)10-2-1-3-11(10)14/h4,6-7,10-11H,1-3,5,14H2/t7?,10-,11-/m1/s1.
What are the key properties of cis-(1R,2R)-2-(3,5-difluorocyclohexa-2,4-dien-1-yl)cyclopentan-1-amine?
cis-(1R,2R)-2-(3,5-difluorocyclohexa-2,4-dien-1-yl)cyclopentan-1-amine has a molecular weight of 199.24 g/mol, XLogP of 2.84, 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-(3,5-difluorocyclohexa-2,4-dien-1-yl)cyclopentan-1-amine is sourced from PubChem (CID 89176002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).