trans-(1R,2R)-2-fluoro-N-(3-methoxypropyl)cyclohexan-1-amine

C10H20FNO — CID 126847788

IUPACtrans-(1R,2R)-2-fluoro-N-(3-methoxypropyl)cyclohexan-1-amine
SMILESCOCCCN[C@@H]1CCCC[C@H]1F
InChIInChI=1S/C10H20FNO/c1-13-8-4-7-12-10-6-3-2-5-9(10)11/h9-10,12H,2-8H2,1H3/t9-,10-/m1/s1
InChIKeyLKBIHLIHGZNKEX-NXEZZACHSA-N
MW189.27 g/mol
LogP1.89
Rot. Bonds5

About trans-(1R,2R)-2-fluoro-N-(3-methoxypropyl)cyclohexan-1-amine

trans-(1R,2R)-2-fluoro-N-(3-methoxypropyl)cyclohexan-1-amine (PubChem CID 126847788) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is trans-(1R,2R)-2-fluoro-N-(3-methoxypropyl)cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-fluoro-N-(3-methoxypropyl)cyclohexan-1-amine
PubChem CID126847788
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Nametrans-(1R,2R)-2-fluoro-N-(3-methoxypropyl)cyclohexan-1-amine
SMILESCOCCCN[C@@H]1CCCC[C@H]1F
InChIInChI=1S/C10H20FNO/c1-13-8-4-7-12-10-6-3-2-5-9(10)11/h9-10,12H,2-8H2,1H3/t9-,10-/m1/s1
InChIKeyLKBIHLIHGZNKEX-NXEZZACHSA-N
XLogP1.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-fluoro-N-(3-methoxypropyl)cyclohexan-1-amine?
The IUPAC name of trans-(1R,2R)-2-fluoro-N-(3-methoxypropyl)cyclohexan-1-amine (CID 126847788) is trans-(1R,2R)-2-fluoro-N-(3-methoxypropyl)cyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-fluoro-N-(3-methoxypropyl)cyclohexan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-fluoro-N-(3-methoxypropyl)cyclohexan-1-amine is COCCCN[C@@H]1CCCC[C@H]1F.
What is the InChIKey of trans-(1R,2R)-2-fluoro-N-(3-methoxypropyl)cyclohexan-1-amine?
The InChIKey is LKBIHLIHGZNKEX-NXEZZACHSA-N. The full InChI is InChI=1S/C10H20FNO/c1-13-8-4-7-12-10-6-3-2-5-9(10)11/h9-10,12H,2-8H2,1H3/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-fluoro-N-(3-methoxypropyl)cyclohexan-1-amine?
trans-(1R,2R)-2-fluoro-N-(3-methoxypropyl)cyclohexan-1-amine has a molecular weight of 189.27 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-fluoro-N-(3-methoxypropyl)cyclohexan-1-amine is sourced from PubChem (CID 126847788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).