2-[(3-fluoropropylamino)methyl]cyclopentan-1-ol

C9H18FNO — CID 81107077

IUPAC2-[(3-fluoropropylamino)methyl]cyclopentan-1-ol
SMILESOC1CCCC1CNCCCF
InChIInChI=1S/C9H18FNO/c10-5-2-6-11-7-8-3-1-4-9(8)12/h8-9,11-12H,1-7H2
InChIKeyNRRYFQUPEZBXMV-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.10
Rot. Bonds5

About 2-[(3-fluoropropylamino)methyl]cyclopentan-1-ol

2-[(3-fluoropropylamino)methyl]cyclopentan-1-ol (PubChem CID 81107077) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 2-[(3-fluoropropylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[(3-fluoropropylamino)methyl]cyclopentan-1-ol
PubChem CID81107077
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name2-[(3-fluoropropylamino)methyl]cyclopentan-1-ol
SMILESOC1CCCC1CNCCCF
InChIInChI=1S/C9H18FNO/c10-5-2-6-11-7-8-3-1-4-9(8)12/h8-9,11-12H,1-7H2
InChIKeyNRRYFQUPEZBXMV-UHFFFAOYSA-N
XLogP1.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.10
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 2-[(3-fluoropropylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 2-[(3-fluoropropylamino)methyl]cyclopentan-1-ol (CID 81107077) is 2-[(3-fluoropropylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[(3-fluoropropylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[(3-fluoropropylamino)methyl]cyclopentan-1-ol is OC1CCCC1CNCCCF.
What is the InChIKey of 2-[(3-fluoropropylamino)methyl]cyclopentan-1-ol?
The InChIKey is NRRYFQUPEZBXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c10-5-2-6-11-7-8-3-1-4-9(8)12/h8-9,11-12H,1-7H2.
What are the key properties of 2-[(3-fluoropropylamino)methyl]cyclopentan-1-ol?
2-[(3-fluoropropylamino)methyl]cyclopentan-1-ol has a molecular weight of 175.25 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoropropylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 81107077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).