1-(3-fluoropropoxymethyl)cycloheptan-1-amine

C11H22FNO — CID 81113273

IUPAC1-(3-fluoropropoxymethyl)cycloheptan-1-amine
SMILESNC1(COCCCF)CCCCCC1
InChIInChI=1S/C11H22FNO/c12-8-5-9-14-10-11(13)6-3-1-2-4-7-11/h1-10,13H2
InChIKeyIJTQTQYLHLEDBX-UHFFFAOYSA-N
MW203.30 g/mol
LogP2.41
Rot. Bonds5

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

1-(3-fluoropropoxymethyl)cycloheptan-1-amine (PubChem CID 81113273) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is 1-(3-fluoropropoxymethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(3-fluoropropoxymethyl)cycloheptan-1-amine
PubChem CID81113273
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name1-(3-fluoropropoxymethyl)cycloheptan-1-amine
SMILESNC1(COCCCF)CCCCCC1
InChIInChI=1S/C11H22FNO/c12-8-5-9-14-10-11(13)6-3-1-2-4-7-11/h1-10,13H2
InChIKeyIJTQTQYLHLEDBX-UHFFFAOYSA-N
XLogP2.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.41
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 1-(3-fluoropropoxymethyl)cycloheptan-1-amine?
The IUPAC name of 1-(3-fluoropropoxymethyl)cycloheptan-1-amine (CID 81113273) is 1-(3-fluoropropoxymethyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(3-fluoropropoxymethyl)cycloheptan-1-amine?
The canonical SMILES for 1-(3-fluoropropoxymethyl)cycloheptan-1-amine is NC1(COCCCF)CCCCCC1.
What is the InChIKey of 1-(3-fluoropropoxymethyl)cycloheptan-1-amine?
The InChIKey is IJTQTQYLHLEDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO/c12-8-5-9-14-10-11(13)6-3-1-2-4-7-11/h1-10,13H2.
What are the key properties of 1-(3-fluoropropoxymethyl)cycloheptan-1-amine?
1-(3-fluoropropoxymethyl)cycloheptan-1-amine has a molecular weight of 203.30 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropoxymethyl)cycloheptan-1-amine is sourced from PubChem (CID 81113273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).