4-(3-fluoropropoxy)cyclohexan-1-amine

C9H18FNO — CID 81114825

IUPAC4-(3-fluoropropoxy)cyclohexan-1-amine
SMILESNC1CCC(OCCCF)CC1
InChIInChI=1S/C9H18FNO/c10-6-1-7-12-9-4-2-8(11)3-5-9/h8-9H,1-7,11H2
InChIKeyHZQBXLOZQJRZSX-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.63
Rot. Bonds4

About 4-(3-fluoropropoxy)cyclohexan-1-amine

4-(3-fluoropropoxy)cyclohexan-1-amine (PubChem CID 81114825) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 4-(3-fluoropropoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(3-fluoropropoxy)cyclohexan-1-amine
PubChem CID81114825
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name4-(3-fluoropropoxy)cyclohexan-1-amine
SMILESNC1CCC(OCCCF)CC1
InChIInChI=1S/C9H18FNO/c10-6-1-7-12-9-4-2-8(11)3-5-9/h8-9H,1-7,11H2
InChIKeyHZQBXLOZQJRZSX-UHFFFAOYSA-N
XLogP1.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.63
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 4-(3-fluoropropoxy)cyclohexan-1-amine?
The IUPAC name of 4-(3-fluoropropoxy)cyclohexan-1-amine (CID 81114825) is 4-(3-fluoropropoxy)cyclohexan-1-amine.
What is the SMILES notation for 4-(3-fluoropropoxy)cyclohexan-1-amine?
The canonical SMILES for 4-(3-fluoropropoxy)cyclohexan-1-amine is NC1CCC(OCCCF)CC1.
What is the InChIKey of 4-(3-fluoropropoxy)cyclohexan-1-amine?
The InChIKey is HZQBXLOZQJRZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c10-6-1-7-12-9-4-2-8(11)3-5-9/h8-9H,1-7,11H2.
What are the key properties of 4-(3-fluoropropoxy)cyclohexan-1-amine?
4-(3-fluoropropoxy)cyclohexan-1-amine has a molecular weight of 175.25 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropropoxy)cyclohexan-1-amine is sourced from PubChem (CID 81114825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).