3-(3-cyclopentylpropylamino)-1,1,1-trifluoropropan-2-ol

C11H20F3NO — CID 104704520

IUPAC3-(3-cyclopentylpropylamino)-1,1,1-trifluoropropan-2-ol
SMILESOC(CNCCCC1CCCC1)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c12-11(13,14)10(16)8-15-7-3-6-9-4-1-2-5-9/h9-10,15-16H,1-8H2
InChIKeyJRWDUKDEJJJNPP-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.47
Rot. Bonds6

About 3-(3-cyclopentylpropylamino)-1,1,1-trifluoropropan-2-ol

3-(3-cyclopentylpropylamino)-1,1,1-trifluoropropan-2-ol (PubChem CID 104704520) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-(3-cyclopentylpropylamino)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(3-cyclopentylpropylamino)-1,1,1-trifluoropropan-2-ol
PubChem CID104704520
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name3-(3-cyclopentylpropylamino)-1,1,1-trifluoropropan-2-ol
SMILESOC(CNCCCC1CCCC1)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c12-11(13,14)10(16)8-15-7-3-6-9-4-1-2-5-9/h9-10,15-16H,1-8H2
InChIKeyJRWDUKDEJJJNPP-UHFFFAOYSA-N
XLogP2.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.47
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

2-[(4,4-Difluoro-cyclohexylmethyl)-amino]-ethanol
CID 67152047
2-[(3,3-Difluorocyclohexyl)methylamino]ethanol
CID 68729593
3-(Decylamino)-1,1,1-trifluoropropan-2-ol
CID 78971582
1,1,1-Trifluoro-3-(6-methyloctylamino)propan-2-ol
CID 89935850
CID 4712667
CID 4712667
cyclohexylmethyl-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]azanium
CID 7153079
(2S)-3-(cyclohexylmethylamino)-1,1,1-trifluoropropan-2-ol
CID 7153080
cyclohexylmethyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium
CID 7153088
(2R)-3-(cyclohexylmethylamino)-1,1,1-trifluoropropan-2-ol
CID 7153089
3-[(4-Ethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol
CID 61529999
1,1,1-Trifluoro-3-[(4-propylcyclohexyl)amino]propan-2-ol
CID 61530000
1,1,1-Trifluoro-3-[(4-methylcyclohexyl)methylamino]propan-2-ol
CID 63899443

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentylpropylamino)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(3-cyclopentylpropylamino)-1,1,1-trifluoropropan-2-ol (CID 104704520) is 3-(3-cyclopentylpropylamino)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(3-cyclopentylpropylamino)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(3-cyclopentylpropylamino)-1,1,1-trifluoropropan-2-ol is OC(CNCCCC1CCCC1)C(F)(F)F.
What is the InChIKey of 3-(3-cyclopentylpropylamino)-1,1,1-trifluoropropan-2-ol?
The InChIKey is JRWDUKDEJJJNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c12-11(13,14)10(16)8-15-7-3-6-9-4-1-2-5-9/h9-10,15-16H,1-8H2.
What are the key properties of 3-(3-cyclopentylpropylamino)-1,1,1-trifluoropropan-2-ol?
3-(3-cyclopentylpropylamino)-1,1,1-trifluoropropan-2-ol has a molecular weight of 239.28 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentylpropylamino)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 104704520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).