trans-(1S,3S)-3-fluorocyclohexan-1-amine

C6H12FN — CID 86333917

IUPACtrans-(1S,3S)-3-fluorocyclohexan-1-amine
SMILESN[C@H]1CCC[C@H](F)C1
InChIInChI=1S/C6H12FN/c7-5-2-1-3-6(8)4-5/h5-6H,1-4,8H2/t5-,6-/m0/s1
InChIKeyZPZKJQKFLQCCMD-WDSKDSINSA-N
MW117.17 g/mol
LogP1.23
Rot. Bonds

About trans-(1S,3S)-3-fluorocyclohexan-1-amine

trans-(1S,3S)-3-fluorocyclohexan-1-amine (PubChem CID 86333917) has the molecular formula C6H12FN and a molecular weight of 117.17 g/mol. Its IUPAC name is trans-(1S,3S)-3-fluorocyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,3S)-3-fluorocyclohexan-1-amine
PubChem CID86333917
Molecular FormulaC6H12FN
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC Nametrans-(1S,3S)-3-fluorocyclohexan-1-amine
SMILESN[C@H]1CCC[C@H](F)C1
InChIInChI=1S/C6H12FN/c7-5-2-1-3-6(8)4-5/h5-6H,1-4,8H2/t5-,6-/m0/s1
InChIKeyZPZKJQKFLQCCMD-WDSKDSINSA-N
XLogP1.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-fluorocyclohexan-1-amine?
The IUPAC name of trans-(1S,3S)-3-fluorocyclohexan-1-amine (CID 86333917) is trans-(1S,3S)-3-fluorocyclohexan-1-amine.
What is the SMILES notation for trans-(1S,3S)-3-fluorocyclohexan-1-amine?
The canonical SMILES for trans-(1S,3S)-3-fluorocyclohexan-1-amine is N[C@H]1CCC[C@H](F)C1.
What is the InChIKey of trans-(1S,3S)-3-fluorocyclohexan-1-amine?
The InChIKey is ZPZKJQKFLQCCMD-WDSKDSINSA-N. The full InChI is InChI=1S/C6H12FN/c7-5-2-1-3-6(8)4-5/h5-6H,1-4,8H2/t5-,6-/m0/s1.
What are the key properties of trans-(1S,3S)-3-fluorocyclohexan-1-amine?
trans-(1S,3S)-3-fluorocyclohexan-1-amine has a molecular weight of 117.17 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-fluorocyclohexan-1-amine is sourced from PubChem (CID 86333917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).