trans-(1R,2R)-2-chloro-2,3,3-trifluoro-1-methylcyclobutan-1-amine

C5H7ClF3N — CID 92980357

IUPACtrans-(1R,2R)-2-chloro-2,3,3-trifluoro-1-methylcyclobutan-1-amine
SMILESC[C@@]1(N)CC(F)(F)[C@]1(F)Cl
InChIInChI=1S/C5H7ClF3N/c1-3(10)2-4(7,8)5(3,6)9/h2,10H2,1H3/t3-,5+/m1/s1
InChIKeyXEYYCHMTHKYPKF-WUJLRWPWSA-N
MW173.56 g/mol
LogP1.65
Rot. Bonds

About trans-(1R,2R)-2-chloro-2,3,3-trifluoro-1-methylcyclobutan-1-amine

trans-(1R,2R)-2-chloro-2,3,3-trifluoro-1-methylcyclobutan-1-amine (PubChem CID 92980357) has the molecular formula C5H7ClF3N and a molecular weight of 173.56 g/mol. Its IUPAC name is trans-(1R,2R)-2-chloro-2,3,3-trifluoro-1-methylcyclobutan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-chloro-2,3,3-trifluoro-1-methylcyclobutan-1-amine
PubChem CID92980357
Molecular FormulaC5H7ClF3N
Molecular Weight173.56 g/mol
Exact Mass173.02
IUPAC Nametrans-(1R,2R)-2-chloro-2,3,3-trifluoro-1-methylcyclobutan-1-amine
SMILESC[C@@]1(N)CC(F)(F)[C@]1(F)Cl
InChIInChI=1S/C5H7ClF3N/c1-3(10)2-4(7,8)5(3,6)9/h2,10H2,1H3/t3-,5+/m1/s1
InChIKeyXEYYCHMTHKYPKF-WUJLRWPWSA-N
XLogP1.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.56
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-chloro-2,3,3-trifluoro-1-methylcyclobutan-1-amine?
The IUPAC name of trans-(1R,2R)-2-chloro-2,3,3-trifluoro-1-methylcyclobutan-1-amine (CID 92980357) is trans-(1R,2R)-2-chloro-2,3,3-trifluoro-1-methylcyclobutan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-chloro-2,3,3-trifluoro-1-methylcyclobutan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-chloro-2,3,3-trifluoro-1-methylcyclobutan-1-amine is C[C@@]1(N)CC(F)(F)[C@]1(F)Cl.
What is the InChIKey of trans-(1R,2R)-2-chloro-2,3,3-trifluoro-1-methylcyclobutan-1-amine?
The InChIKey is XEYYCHMTHKYPKF-WUJLRWPWSA-N. The full InChI is InChI=1S/C5H7ClF3N/c1-3(10)2-4(7,8)5(3,6)9/h2,10H2,1H3/t3-,5+/m1/s1.
What are the key properties of trans-(1R,2R)-2-chloro-2,3,3-trifluoro-1-methylcyclobutan-1-amine?
trans-(1R,2R)-2-chloro-2,3,3-trifluoro-1-methylcyclobutan-1-amine has a molecular weight of 173.56 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-chloro-2,3,3-trifluoro-1-methylcyclobutan-1-amine is sourced from PubChem (CID 92980357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).