1-(3-fluoropropoxymethyl)cyclohexan-1-amine

C10H20FNO — CID 81113045

IUPAC1-(3-fluoropropoxymethyl)cyclohexan-1-amine
SMILESNC1(COCCCF)CCCCC1
InChIInChI=1S/C10H20FNO/c11-7-4-8-13-9-10(12)5-2-1-3-6-10/h1-9,12H2
InChIKeyPMAWCEJIRNVOTN-UHFFFAOYSA-N
MW189.27 g/mol
LogP2.02
Rot. Bonds5

About 1-(3-fluoropropoxymethyl)cyclohexan-1-amine

1-(3-fluoropropoxymethyl)cyclohexan-1-amine (PubChem CID 81113045) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 1-(3-fluoropropoxymethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(3-fluoropropoxymethyl)cyclohexan-1-amine
PubChem CID81113045
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name1-(3-fluoropropoxymethyl)cyclohexan-1-amine
SMILESNC1(COCCCF)CCCCC1
InChIInChI=1S/C10H20FNO/c11-7-4-8-13-9-10(12)5-2-1-3-6-10/h1-9,12H2
InChIKeyPMAWCEJIRNVOTN-UHFFFAOYSA-N
XLogP2.02
TPSA35.25 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 ≤ 52.02
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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Related Compounds

1-(Methoxymethyl)cyclohexan-1-amine
CID 54594344
1-[2-(2,2,2-Trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 62620489
1-[3-(2,2,2-Trifluoroethoxy)propyl]cyclohexan-1-amine
CID 62620669
1-(3,3,3-Trifluoropropoxymethyl)cyclohexan-1-amine
CID 64565499
1-(2,2,2-Trifluoroethoxymethyl)cyclohexan-1-amine
CID 64571858
1-[3-(2,2,2-Trifluoroethoxy)propoxymethyl]cyclohexan-1-amine
CID 64572073
1-(2,2-Difluoroethoxymethyl)cyclohexan-1-amine
CID 64574422
1-[2-(2,2,2-Trifluoroethoxy)ethoxymethyl]cyclohexan-1-amine
CID 64574640
1-[2-(Trifluoromethoxy)ethoxymethyl]cyclohexan-1-amine
CID 65804571
1-(2-Fluoroethoxymethyl)cyclopentan-1-amine
CID 80694622
1-(2-Fluoroethoxymethyl)cyclohexan-1-amine
CID 80694781
1-(2-Fluoroethoxymethyl)cycloheptan-1-amine
CID 80694930

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropoxymethyl)cyclohexan-1-amine?
The IUPAC name of 1-(3-fluoropropoxymethyl)cyclohexan-1-amine (CID 81113045) is 1-(3-fluoropropoxymethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(3-fluoropropoxymethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(3-fluoropropoxymethyl)cyclohexan-1-amine is NC1(COCCCF)CCCCC1.
What is the InChIKey of 1-(3-fluoropropoxymethyl)cyclohexan-1-amine?
The InChIKey is PMAWCEJIRNVOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c11-7-4-8-13-9-10(12)5-2-1-3-6-10/h1-9,12H2.
What are the key properties of 1-(3-fluoropropoxymethyl)cyclohexan-1-amine?
1-(3-fluoropropoxymethyl)cyclohexan-1-amine has a molecular weight of 189.27 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropoxymethyl)cyclohexan-1-amine is sourced from PubChem (CID 81113045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).