1-[(3,3,3-trifluoropropylamino)methyl]cyclopentan-1-ol

C9H16F3NO — CID 65108895

IUPAC1-[(3,3,3-trifluoropropylamino)methyl]cyclopentan-1-ol
SMILESOC1(CNCCC(F)(F)F)CCCC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)5-6-13-7-8(14)3-1-2-4-8/h13-14H,1-7H2
InChIKeyYHFPQLJKVGQGFH-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.83
Rot. Bonds4

About 1-[(3,3,3-trifluoropropylamino)methyl]cyclopentan-1-ol

1-[(3,3,3-trifluoropropylamino)methyl]cyclopentan-1-ol (PubChem CID 65108895) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 1-[(3,3,3-trifluoropropylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(3,3,3-trifluoropropylamino)methyl]cyclopentan-1-ol
PubChem CID65108895
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name1-[(3,3,3-trifluoropropylamino)methyl]cyclopentan-1-ol
SMILESOC1(CNCCC(F)(F)F)CCCC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)5-6-13-7-8(14)3-1-2-4-8/h13-14H,1-7H2
InChIKeyYHFPQLJKVGQGFH-UHFFFAOYSA-N
XLogP1.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.83
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 1-[(3,3,3-trifluoropropylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(3,3,3-trifluoropropylamino)methyl]cyclopentan-1-ol (CID 65108895) is 1-[(3,3,3-trifluoropropylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(3,3,3-trifluoropropylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(3,3,3-trifluoropropylamino)methyl]cyclopentan-1-ol is OC1(CNCCC(F)(F)F)CCCC1.
What is the InChIKey of 1-[(3,3,3-trifluoropropylamino)methyl]cyclopentan-1-ol?
The InChIKey is YHFPQLJKVGQGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)5-6-13-7-8(14)3-1-2-4-8/h13-14H,1-7H2.
What are the key properties of 1-[(3,3,3-trifluoropropylamino)methyl]cyclopentan-1-ol?
1-[(3,3,3-trifluoropropylamino)methyl]cyclopentan-1-ol has a molecular weight of 211.23 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3,3-trifluoropropylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 65108895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).