3-(3-fluoropropylamino)cyclohexane-1-carboxylic acid

C10H18FNO2 — CID 81113394

IUPAC3-(3-fluoropropylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(NCCCF)C1
InChIInChI=1S/C10H18FNO2/c11-5-2-6-12-9-4-1-3-8(7-9)10(13)14/h8-9,12H,1-7H2,(H,13,14)
InChIKeyMPORHSMTVIDAIH-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.58
Rot. Bonds5

About 3-(3-fluoropropylamino)cyclohexane-1-carboxylic acid

3-(3-fluoropropylamino)cyclohexane-1-carboxylic acid (PubChem CID 81113394) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is 3-(3-fluoropropylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(3-fluoropropylamino)cyclohexane-1-carboxylic acid
PubChem CID81113394
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name3-(3-fluoropropylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(NCCCF)C1
InChIInChI=1S/C10H18FNO2/c11-5-2-6-12-9-4-1-3-8(7-9)10(13)14/h8-9,12H,1-7H2,(H,13,14)
InChIKeyMPORHSMTVIDAIH-UHFFFAOYSA-N
XLogP1.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.58
H-Bond Donors ≤ 52
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 3-(3-fluoropropylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(3-fluoropropylamino)cyclohexane-1-carboxylic acid (CID 81113394) is 3-(3-fluoropropylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(3-fluoropropylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(3-fluoropropylamino)cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(NCCCF)C1.
What is the InChIKey of 3-(3-fluoropropylamino)cyclohexane-1-carboxylic acid?
The InChIKey is MPORHSMTVIDAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c11-5-2-6-12-9-4-1-3-8(7-9)10(13)14/h8-9,12H,1-7H2,(H,13,14).
What are the key properties of 3-(3-fluoropropylamino)cyclohexane-1-carboxylic acid?
3-(3-fluoropropylamino)cyclohexane-1-carboxylic acid has a molecular weight of 203.26 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 81113394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).