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

C10H18F3NO — CID 115513758

IUPAC1-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-ol
SMILESOC1(CNCCCC(F)(F)F)CCCC1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)6-3-7-14-8-9(15)4-1-2-5-9/h14-15H,1-8H2
InChIKeyZAHXWMIDYLBBEV-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.22
Rot. Bonds5

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

1-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-ol (PubChem CID 115513758) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-ol
PubChem CID115513758
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name1-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-ol
SMILESOC1(CNCCCC(F)(F)F)CCCC1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)6-3-7-14-8-9(15)4-1-2-5-9/h14-15H,1-8H2
InChIKeyZAHXWMIDYLBBEV-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
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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Related Compounds

trans-(1S,2R)-2-(2-methylpropylamino)-1-(trifluoromethyl)cyclopentan-1-ol
CID 167273949
1-{[(2,2,2-Trifluoroethyl)amino]methyl}cyclohexan-1-ol
CID 60899407
1-[(3,3,3-Trifluoropropylamino)methyl]cyclohexan-1-ol
CID 63227075
[1-(3,3,3-Trifluoropropylamino)cyclopentyl]methanol
CID 64555017
3-(3,3,3-Trifluoropropyl)pyrrolidin-3-ol
CID 64566987
1-[[[3-(Trifluoromethyl)cyclohexyl]amino]methyl]cyclopentan-1-ol
CID 65105421
1-[[[4-(Trifluoromethyl)cyclohexyl]amino]methyl]cyclopentan-1-ol
CID 65105892
1-[[[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 65105930
1-[[[2-(Trifluoromethyl)cyclohexyl]amino]methyl]cyclopentan-1-ol
CID 65107059
1-[(2,2-Difluoroethylamino)methyl]cyclohexan-1-ol
CID 65108633
1-[(3,3,3-Trifluoropropylamino)methyl]cyclopentan-1-ol
CID 65108895
1-{[(2,2,2-Trifluoroethyl)amino]methyl}cyclopentan-1-ol
CID 65108996

Frequently Asked Questions

What is the IUPAC name of 1-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-ol (CID 115513758) is 1-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-ol is OC1(CNCCCC(F)(F)F)CCCC1.
What is the InChIKey of 1-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-ol?
The InChIKey is ZAHXWMIDYLBBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)6-3-7-14-8-9(15)4-1-2-5-9/h14-15H,1-8H2.
What are the key properties of 1-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-ol?
1-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-ol has a molecular weight of 225.25 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 115513758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).