trans-(1R,3S)-1-methyl-3-(trifluoromethyl)cyclopentan-1-amine

C7H12F3N — CID 174036116

IUPACtrans-(1R,3S)-1-methyl-3-(trifluoromethyl)cyclopentan-1-amine
SMILESC[C@@]1(N)CC[C@H](C(F)(F)F)C1
InChIInChI=1S/C7H12F3N/c1-6(11)3-2-5(4-6)7(8,9)10/h5H,2-4,11H2,1H3/t5-,6+/m0/s1
InChIKeyLASYLSSJXHCYLY-NTSWFWBYSA-N
MW167.17 g/mol
LogP2.07
Rot. Bonds

About trans-(1R,3S)-1-methyl-3-(trifluoromethyl)cyclopentan-1-amine

trans-(1R,3S)-1-methyl-3-(trifluoromethyl)cyclopentan-1-amine (PubChem CID 174036116) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is trans-(1R,3S)-1-methyl-3-(trifluoromethyl)cyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1R,3S)-1-methyl-3-(trifluoromethyl)cyclopentan-1-amine
PubChem CID174036116
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Nametrans-(1R,3S)-1-methyl-3-(trifluoromethyl)cyclopentan-1-amine
SMILESC[C@@]1(N)CC[C@H](C(F)(F)F)C1
InChIInChI=1S/C7H12F3N/c1-6(11)3-2-5(4-6)7(8,9)10/h5H,2-4,11H2,1H3/t5-,6+/m0/s1
InChIKeyLASYLSSJXHCYLY-NTSWFWBYSA-N
XLogP2.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,3S)-1-methyl-3-(trifluoromethyl)cyclopentan-1-amine?
The IUPAC name of trans-(1R,3S)-1-methyl-3-(trifluoromethyl)cyclopentan-1-amine (CID 174036116) is trans-(1R,3S)-1-methyl-3-(trifluoromethyl)cyclopentan-1-amine.
What is the SMILES notation for trans-(1R,3S)-1-methyl-3-(trifluoromethyl)cyclopentan-1-amine?
The canonical SMILES for trans-(1R,3S)-1-methyl-3-(trifluoromethyl)cyclopentan-1-amine is C[C@@]1(N)CC[C@H](C(F)(F)F)C1.
What is the InChIKey of trans-(1R,3S)-1-methyl-3-(trifluoromethyl)cyclopentan-1-amine?
The InChIKey is LASYLSSJXHCYLY-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H12F3N/c1-6(11)3-2-5(4-6)7(8,9)10/h5H,2-4,11H2,1H3/t5-,6+/m0/s1.
What are the key properties of trans-(1R,3S)-1-methyl-3-(trifluoromethyl)cyclopentan-1-amine?
trans-(1R,3S)-1-methyl-3-(trifluoromethyl)cyclopentan-1-amine has a molecular weight of 167.17 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3S)-1-methyl-3-(trifluoromethyl)cyclopentan-1-amine is sourced from PubChem (CID 174036116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).