cis-(1R,2S)-2-fluoro-N,N-dimethylcyclopentan-1-amine;2,2,2-trifluoroacetic acid

C9H15F4NO2 — CID 158852289

IUPACcis-(1R,2S)-2-fluoro-N,N-dimethylcyclopentan-1-amine;2,2,2-trifluoroacetic acid
SMILESCN(C)[C@@H]1CCC[C@@H]1F.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14FN.C2HF3O2/c1-9(2)7-5-3-4-6(7)8;3-2(4,5)1(6)7/h6-7H,3-5H2,1-2H3;(H,6,7)/t6-,7+;/m0./s1
InChIKeyLWQAABONXJKIMD-UOERWJHTSA-N
MW245.22 g/mol
LogP2.07
Rot. Bonds1

About cis-(1R,2S)-2-fluoro-N,N-dimethylcyclopentan-1-amine;2,2,2-trifluoroacetic acid

cis-(1R,2S)-2-fluoro-N,N-dimethylcyclopentan-1-amine;2,2,2-trifluoroacetic acid (PubChem CID 158852289) has the molecular formula C9H15F4NO2 and a molecular weight of 245.22 g/mol. Its IUPAC name is cis-(1R,2S)-2-fluoro-N,N-dimethylcyclopentan-1-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-fluoro-N,N-dimethylcyclopentan-1-amine;2,2,2-trifluoroacetic acid
PubChem CID158852289
Molecular FormulaC9H15F4NO2
Molecular Weight245.22 g/mol
Exact Mass245.10
IUPAC Namecis-(1R,2S)-2-fluoro-N,N-dimethylcyclopentan-1-amine;2,2,2-trifluoroacetic acid
SMILESCN(C)[C@@H]1CCC[C@@H]1F.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14FN.C2HF3O2/c1-9(2)7-5-3-4-6(7)8;3-2(4,5)1(6)7/h6-7H,3-5H2,1-2H3;(H,6,7)/t6-,7+;/m0./s1
InChIKeyLWQAABONXJKIMD-UOERWJHTSA-N
XLogP2.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-Dimethylpyrrolidine;2,2,2-trifluoroacetic acid
CID 70038158
N,N-dimethylpentan-3-amine;2,2,2-trifluoroacetic acid
CID 171925784
N,N-dimethylhexan-2-amine;2,2,2-trifluoroacetic acid
CID 173580432
N-methylcyclopentanamine;2,2,2-trifluoroacetic acid
CID 174539018
1-Ethyl-2-methylpyrrolidine;2,2,2-trifluoroacetic acid
CID 174546292
2-[Cyclopentyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 60833966
2-[Cyclopentyl(2,2-difluoroethyl)amino]acetic acid
CID 60922809
3-[Cyclopentyl(methyl)amino]-2,2-difluoropropanoic acid
CID 165466793

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-fluoro-N,N-dimethylcyclopentan-1-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of cis-(1R,2S)-2-fluoro-N,N-dimethylcyclopentan-1-amine;2,2,2-trifluoroacetic acid (CID 158852289) is cis-(1R,2S)-2-fluoro-N,N-dimethylcyclopentan-1-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for cis-(1R,2S)-2-fluoro-N,N-dimethylcyclopentan-1-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for cis-(1R,2S)-2-fluoro-N,N-dimethylcyclopentan-1-amine;2,2,2-trifluoroacetic acid is CN(C)[C@@H]1CCC[C@@H]1F.O=C(O)C(F)(F)F.
What is the InChIKey of cis-(1R,2S)-2-fluoro-N,N-dimethylcyclopentan-1-amine;2,2,2-trifluoroacetic acid?
The InChIKey is LWQAABONXJKIMD-UOERWJHTSA-N. The full InChI is InChI=1S/C7H14FN.C2HF3O2/c1-9(2)7-5-3-4-6(7)8;3-2(4,5)1(6)7/h6-7H,3-5H2,1-2H3;(H,6,7)/t6-,7+;/m0./s1.
What are the key properties of cis-(1R,2S)-2-fluoro-N,N-dimethylcyclopentan-1-amine;2,2,2-trifluoroacetic acid?
cis-(1R,2S)-2-fluoro-N,N-dimethylcyclopentan-1-amine;2,2,2-trifluoroacetic acid has a molecular weight of 245.22 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-fluoro-N,N-dimethylcyclopentan-1-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 158852289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).