3-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-ol

C10H18F3NO — CID 106129378

IUPAC3-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-ol
SMILESOC1CCC(CNCCCC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)4-1-5-14-7-8-2-3-9(15)6-8/h8-9,14-15H,1-7H2
InChIKeyQDWKVRQFDFDQCI-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.08
Rot. Bonds5

About 3-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-ol

3-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-ol (PubChem CID 106129378) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-ol
PubChem CID106129378
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name3-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-ol
SMILESOC1CCC(CNCCCC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)4-1-5-14-7-8-2-3-9(15)6-8/h8-9,14-15H,1-7H2
InChIKeyQDWKVRQFDFDQCI-UHFFFAOYSA-N
XLogP2.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.08
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-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 3-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-ol (CID 106129378) is 3-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-ol is OC1CCC(CNCCCC(F)(F)F)C1.
What is the InChIKey of 3-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-ol?
The InChIKey is QDWKVRQFDFDQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)4-1-5-14-7-8-2-3-9(15)6-8/h8-9,14-15H,1-7H2.
What are the key properties of 3-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-ol?
3-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-ol has a molecular weight of 225.25 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 106129378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).