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

C12H24FNO — CID 126847786

IUPACtrans-(1R,2R)-2-fluoro-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
SMILESCC(C)OCCCN[C@@H]1CCCC[C@H]1F
InChIInChI=1S/C12H24FNO/c1-10(2)15-9-5-8-14-12-7-4-3-6-11(12)13/h10-12,14H,3-9H2,1-2H3/t11-,12-/m1/s1
InChIKeyGTAKVUURHASELE-VXGBXAGGSA-N
MW217.33 g/mol
LogP2.67
Rot. Bonds6

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

trans-(1R,2R)-2-fluoro-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine (PubChem CID 126847786) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is trans-(1R,2R)-2-fluoro-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-fluoro-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
PubChem CID126847786
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Nametrans-(1R,2R)-2-fluoro-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
SMILESCC(C)OCCCN[C@@H]1CCCC[C@H]1F
InChIInChI=1S/C12H24FNO/c1-10(2)15-9-5-8-14-12-7-4-3-6-11(12)13/h10-12,14H,3-9H2,1-2H3/t11-,12-/m1/s1
InChIKeyGTAKVUURHASELE-VXGBXAGGSA-N
XLogP2.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.67
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-propan-2-yloxypropyl)cyclohexan-1-amine?
The IUPAC name of trans-(1R,2R)-2-fluoro-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine (CID 126847786) is trans-(1R,2R)-2-fluoro-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-fluoro-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-fluoro-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine is CC(C)OCCCN[C@@H]1CCCC[C@H]1F.
What is the InChIKey of trans-(1R,2R)-2-fluoro-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine?
The InChIKey is GTAKVUURHASELE-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H24FNO/c1-10(2)15-9-5-8-14-12-7-4-3-6-11(12)13/h10-12,14H,3-9H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-fluoro-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine?
trans-(1R,2R)-2-fluoro-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine has a molecular weight of 217.33 g/mol, XLogP of 2.67, 6 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-propan-2-yloxypropyl)cyclohexan-1-amine is sourced from PubChem (CID 126847786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).