3-(1-cyclopentylpropan-2-ylamino)-1,1,1-trifluoropropan-2-ol

C11H20F3NO — CID 115755879

IUPAC3-(1-cyclopentylpropan-2-ylamino)-1,1,1-trifluoropropan-2-ol
SMILESCC(CC1CCCC1)NCC(O)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-8(6-9-4-2-3-5-9)15-7-10(16)11(12,13)14/h8-10,15-16H,2-7H2,1H3
InChIKeyOOQRINOZGYRWLR-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.47
Rot. Bonds5

About 3-(1-cyclopentylpropan-2-ylamino)-1,1,1-trifluoropropan-2-ol

3-(1-cyclopentylpropan-2-ylamino)-1,1,1-trifluoropropan-2-ol (PubChem CID 115755879) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-(1-cyclopentylpropan-2-ylamino)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(1-cyclopentylpropan-2-ylamino)-1,1,1-trifluoropropan-2-ol
PubChem CID115755879
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name3-(1-cyclopentylpropan-2-ylamino)-1,1,1-trifluoropropan-2-ol
SMILESCC(CC1CCCC1)NCC(O)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-8(6-9-4-2-3-5-9)15-7-10(16)11(12,13)14/h8-10,15-16H,2-7H2,1H3
InChIKeyOOQRINOZGYRWLR-UHFFFAOYSA-N
XLogP2.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

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Related Compounds

3-(1-cyclobutylpropan-2-ylamino)-1,1-difluoropropan-2-ol
CID 103787931
3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol
CID 83176713
3-(1-cyclopentylpropan-2-ylamino)-2,2-dimethylpropan-1-ol
CID 115894985
1,1,1-trifluoro-3-[1-(1-methylpiperidin-4-yl)ethylamino]propan-2-ol
CID 113260466
1-cyclohexyl-3,3-difluorobutan-2-ol
CID 131122835
3-[(3-cyclopentyl-2-hydroxypropyl)amino]butanamide
CID 103158365
1-cyclopentyl-N-prop-2-ynylpropan-2-amine
CID 115755854
2-cycloheptyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 113252022
1,1,1-trifluoro-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol
CID 64642223
1-cyclopropyl-N-(2,2-dicyclopropylethyl)propan-2-amine
CID 115724974
2-[(1-cyclopentylpropan-2-ylamino)methyl]-2-methylbutan-1-ol
CID 115895208
tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)-1-cyclopropylethyl]carbamate
CID 103905910

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopentylpropan-2-ylamino)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(1-cyclopentylpropan-2-ylamino)-1,1,1-trifluoropropan-2-ol (CID 115755879) is 3-(1-cyclopentylpropan-2-ylamino)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(1-cyclopentylpropan-2-ylamino)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(1-cyclopentylpropan-2-ylamino)-1,1,1-trifluoropropan-2-ol is CC(CC1CCCC1)NCC(O)C(F)(F)F.
What is the InChIKey of 3-(1-cyclopentylpropan-2-ylamino)-1,1,1-trifluoropropan-2-ol?
The InChIKey is OOQRINOZGYRWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-8(6-9-4-2-3-5-9)15-7-10(16)11(12,13)14/h8-10,15-16H,2-7H2,1H3.
What are the key properties of 3-(1-cyclopentylpropan-2-ylamino)-1,1,1-trifluoropropan-2-ol?
3-(1-cyclopentylpropan-2-ylamino)-1,1,1-trifluoropropan-2-ol has a molecular weight of 239.28 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopentylpropan-2-ylamino)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 115755879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).