1-cyclopentyl-3-(3,3,3-trifluoropropylamino)propan-2-ol

C11H20F3NO — CID 103157763

IUPAC1-cyclopentyl-3-(3,3,3-trifluoropropylamino)propan-2-ol
SMILESOC(CNCCC(F)(F)F)CC1CCCC1
InChIInChI=1S/C11H20F3NO/c12-11(13,14)5-6-15-8-10(16)7-9-3-1-2-4-9/h9-10,15-16H,1-8H2
InChIKeyLRDNWKWRCZFINQ-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.47
Rot. Bonds6

About 1-cyclopentyl-3-(3,3,3-trifluoropropylamino)propan-2-ol

1-cyclopentyl-3-(3,3,3-trifluoropropylamino)propan-2-ol (PubChem CID 103157763) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-cyclopentyl-3-(3,3,3-trifluoropropylamino)propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-(3,3,3-trifluoropropylamino)propan-2-ol
PubChem CID103157763
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name1-cyclopentyl-3-(3,3,3-trifluoropropylamino)propan-2-ol
SMILESOC(CNCCC(F)(F)F)CC1CCCC1
InChIInChI=1S/C11H20F3NO/c12-11(13,14)5-6-15-8-10(16)7-9-3-1-2-4-9/h9-10,15-16H,1-8H2
InChIKeyLRDNWKWRCZFINQ-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

[1-(2,2,2-Trifluoroethylamino)cyclopentyl]methanol
CID 61045463
3-Amino-4-cyclopentyl-1,1,1-trifluorobutan-2-ol
CID 69526801
1,1,1-Trifluoro-3-(6-methyloctylamino)propan-2-ol
CID 89935850
3,3-Difluoro-1-azaspiro[4.4]nonan-4-OL
CID 171397171
2-Cyclopentyl-4,4-difluoropyrrolidin-3-ol
CID 171479105
9,9-Difluoro-6-azaspiro[4.5]decan-10-ol;hydrochloride
CID 176013871
1-(3,3-Difluorocyclopentyl)-2-piperidin-2-ylethanol
CID 177970849
1-[(1R)-3,3-difluorocyclopentyl]-2-piperidin-2-ylethanol
CID 177970939
1-[(1S)-3,3-difluorocyclopentyl]-2-piperidin-2-ylethanol
CID 177971208
2-Ethyl-4-methyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol
CID 61044923
2-Cyclohexyl-2-(2,2,2-trifluoroethylamino)ethanol
CID 61046571
2-Cyclopentyl-2-(2,2,2-trifluoroethylamino)ethanol
CID 62071436

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(3,3,3-trifluoropropylamino)propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-(3,3,3-trifluoropropylamino)propan-2-ol (CID 103157763) is 1-cyclopentyl-3-(3,3,3-trifluoropropylamino)propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-(3,3,3-trifluoropropylamino)propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-(3,3,3-trifluoropropylamino)propan-2-ol is OC(CNCCC(F)(F)F)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(3,3,3-trifluoropropylamino)propan-2-ol?
The InChIKey is LRDNWKWRCZFINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c12-11(13,14)5-6-15-8-10(16)7-9-3-1-2-4-9/h9-10,15-16H,1-8H2.
What are the key properties of 1-cyclopentyl-3-(3,3,3-trifluoropropylamino)propan-2-ol?
1-cyclopentyl-3-(3,3,3-trifluoropropylamino)propan-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 1-cyclopentyl-3-(3,3,3-trifluoropropylamino)propan-2-ol is sourced from PubChem (CID 103157763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).