trans-(1S,2S)-2-fluoro-N-prop-2-enylcyclohexan-1-amine

C9H16FN — CID 135021206

IUPACtrans-(1S,2S)-2-fluoro-N-prop-2-enylcyclohexan-1-amine
SMILESC=CCN[C@H]1CCCC[C@@H]1F
InChIInChI=1S/C9H16FN/c1-2-7-11-9-6-4-3-5-8(9)10/h2,8-9,11H,1,3-7H2/t8-,9-/m0/s1
InChIKeyNFYILQPYPODFIF-IUCAKERBSA-N
MW157.23 g/mol
LogP2.04
Rot. Bonds3

About trans-(1S,2S)-2-fluoro-N-prop-2-enylcyclohexan-1-amine

trans-(1S,2S)-2-fluoro-N-prop-2-enylcyclohexan-1-amine (PubChem CID 135021206) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is trans-(1S,2S)-2-fluoro-N-prop-2-enylcyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-2-fluoro-N-prop-2-enylcyclohexan-1-amine
PubChem CID135021206
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Nametrans-(1S,2S)-2-fluoro-N-prop-2-enylcyclohexan-1-amine
SMILESC=CCN[C@H]1CCCC[C@@H]1F
InChIInChI=1S/C9H16FN/c1-2-7-11-9-6-4-3-5-8(9)10/h2,8-9,11H,1,3-7H2/t8-,9-/m0/s1
InChIKeyNFYILQPYPODFIF-IUCAKERBSA-N
XLogP2.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-fluoro-N-prop-2-enylcyclohexan-1-amine?
The IUPAC name of trans-(1S,2S)-2-fluoro-N-prop-2-enylcyclohexan-1-amine (CID 135021206) is trans-(1S,2S)-2-fluoro-N-prop-2-enylcyclohexan-1-amine.
What is the SMILES notation for trans-(1S,2S)-2-fluoro-N-prop-2-enylcyclohexan-1-amine?
The canonical SMILES for trans-(1S,2S)-2-fluoro-N-prop-2-enylcyclohexan-1-amine is C=CCN[C@H]1CCCC[C@@H]1F.
What is the InChIKey of trans-(1S,2S)-2-fluoro-N-prop-2-enylcyclohexan-1-amine?
The InChIKey is NFYILQPYPODFIF-IUCAKERBSA-N. The full InChI is InChI=1S/C9H16FN/c1-2-7-11-9-6-4-3-5-8(9)10/h2,8-9,11H,1,3-7H2/t8-,9-/m0/s1.
What are the key properties of trans-(1S,2S)-2-fluoro-N-prop-2-enylcyclohexan-1-amine?
trans-(1S,2S)-2-fluoro-N-prop-2-enylcyclohexan-1-amine has a molecular weight of 157.23 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-fluoro-N-prop-2-enylcyclohexan-1-amine is sourced from PubChem (CID 135021206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).