trans-(1R,2R)-N-cyclobutyl-2-fluorocyclohexan-1-amine

C10H18FN — CID 126847798

IUPACtrans-(1R,2R)-N-cyclobutyl-2-fluorocyclohexan-1-amine
SMILESF[C@@H]1CCCC[C@H]1NC1CCC1
InChIInChI=1S/C10H18FN/c11-9-6-1-2-7-10(9)12-8-4-3-5-8/h8-10,12H,1-7H2/t9-,10-/m1/s1
InChIKeyLAUCERBZZBNPOH-NXEZZACHSA-N
MW171.26 g/mol
LogP2.41
Rot. Bonds2

About trans-(1R,2R)-N-cyclobutyl-2-fluorocyclohexan-1-amine

trans-(1R,2R)-N-cyclobutyl-2-fluorocyclohexan-1-amine (PubChem CID 126847798) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is trans-(1R,2R)-N-cyclobutyl-2-fluorocyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-N-cyclobutyl-2-fluorocyclohexan-1-amine
PubChem CID126847798
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Nametrans-(1R,2R)-N-cyclobutyl-2-fluorocyclohexan-1-amine
SMILESF[C@@H]1CCCC[C@H]1NC1CCC1
InChIInChI=1S/C10H18FN/c11-9-6-1-2-7-10(9)12-8-4-3-5-8/h8-10,12H,1-7H2/t9-,10-/m1/s1
InChIKeyLAUCERBZZBNPOH-NXEZZACHSA-N
XLogP2.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-cyclobutyl-2-fluorocyclohexan-1-amine?
The IUPAC name of trans-(1R,2R)-N-cyclobutyl-2-fluorocyclohexan-1-amine (CID 126847798) is trans-(1R,2R)-N-cyclobutyl-2-fluorocyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2R)-N-cyclobutyl-2-fluorocyclohexan-1-amine?
The canonical SMILES for trans-(1R,2R)-N-cyclobutyl-2-fluorocyclohexan-1-amine is F[C@@H]1CCCC[C@H]1NC1CCC1.
What is the InChIKey of trans-(1R,2R)-N-cyclobutyl-2-fluorocyclohexan-1-amine?
The InChIKey is LAUCERBZZBNPOH-NXEZZACHSA-N. The full InChI is InChI=1S/C10H18FN/c11-9-6-1-2-7-10(9)12-8-4-3-5-8/h8-10,12H,1-7H2/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-N-cyclobutyl-2-fluorocyclohexan-1-amine?
trans-(1R,2R)-N-cyclobutyl-2-fluorocyclohexan-1-amine has a molecular weight of 171.26 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-cyclobutyl-2-fluorocyclohexan-1-amine is sourced from PubChem (CID 126847798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).