1-cyclopentyl-3-(4,4,4-trifluorobutylamino)propan-2-ol

C12H22F3NO — CID 103158173

IUPAC1-cyclopentyl-3-(4,4,4-trifluorobutylamino)propan-2-ol
SMILESOC(CNCCCC(F)(F)F)CC1CCCC1
InChIInChI=1S/C12H22F3NO/c13-12(14,15)6-3-7-16-9-11(17)8-10-4-1-2-5-10/h10-11,16-17H,1-9H2
InChIKeyFNLNLZIPCRNVBX-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.86
Rot. Bonds7

About 1-cyclopentyl-3-(4,4,4-trifluorobutylamino)propan-2-ol

1-cyclopentyl-3-(4,4,4-trifluorobutylamino)propan-2-ol (PubChem CID 103158173) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-cyclopentyl-3-(4,4,4-trifluorobutylamino)propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-(4,4,4-trifluorobutylamino)propan-2-ol
PubChem CID103158173
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name1-cyclopentyl-3-(4,4,4-trifluorobutylamino)propan-2-ol
SMILESOC(CNCCCC(F)(F)F)CC1CCCC1
InChIInChI=1S/C12H22F3NO/c13-12(14,15)6-3-7-16-9-11(17)8-10-4-1-2-5-10/h10-11,16-17H,1-9H2
InChIKeyFNLNLZIPCRNVBX-UHFFFAOYSA-N
XLogP2.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.86
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-(4,4,4-trifluorobutylamino)propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-(4,4,4-trifluorobutylamino)propan-2-ol (CID 103158173) is 1-cyclopentyl-3-(4,4,4-trifluorobutylamino)propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-(4,4,4-trifluorobutylamino)propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-(4,4,4-trifluorobutylamino)propan-2-ol is OC(CNCCCC(F)(F)F)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(4,4,4-trifluorobutylamino)propan-2-ol?
The InChIKey is FNLNLZIPCRNVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c13-12(14,15)6-3-7-16-9-11(17)8-10-4-1-2-5-10/h10-11,16-17H,1-9H2.
What are the key properties of 1-cyclopentyl-3-(4,4,4-trifluorobutylamino)propan-2-ol?
1-cyclopentyl-3-(4,4,4-trifluorobutylamino)propan-2-ol has a molecular weight of 253.31 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(4,4,4-trifluorobutylamino)propan-2-ol is sourced from PubChem (CID 103158173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).