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

C10H19F2NO — CID 103158170

IUPAC1-cyclopentyl-3-(2,2-difluoroethylamino)propan-2-ol
SMILESOC(CNCC(F)F)CC1CCCC1
InChIInChI=1S/C10H19F2NO/c11-10(12)7-13-6-9(14)5-8-3-1-2-4-8/h8-10,13-14H,1-7H2
InChIKeyKAGWOCGRXSHSQF-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.78
Rot. Bonds6

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

1-cyclopentyl-3-(2,2-difluoroethylamino)propan-2-ol (PubChem CID 103158170) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2,2-difluoroethylamino)propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-(2,2-difluoroethylamino)propan-2-ol
PubChem CID103158170
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name1-cyclopentyl-3-(2,2-difluoroethylamino)propan-2-ol
SMILESOC(CNCC(F)F)CC1CCCC1
InChIInChI=1S/C10H19F2NO/c11-10(12)7-13-6-9(14)5-8-3-1-2-4-8/h8-10,13-14H,1-7H2
InChIKeyKAGWOCGRXSHSQF-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1,1,1-Trifluoro-3-(6-methyloctylamino)propan-2-ol
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2-Cyclopentyl-4,4-difluoropyrrolidin-3-ol
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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
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CID 62071436

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2,2-difluoroethylamino)propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-(2,2-difluoroethylamino)propan-2-ol (CID 103158170) is 1-cyclopentyl-3-(2,2-difluoroethylamino)propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-(2,2-difluoroethylamino)propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-(2,2-difluoroethylamino)propan-2-ol is OC(CNCC(F)F)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(2,2-difluoroethylamino)propan-2-ol?
The InChIKey is KAGWOCGRXSHSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c11-10(12)7-13-6-9(14)5-8-3-1-2-4-8/h8-10,13-14H,1-7H2.
What are the key properties of 1-cyclopentyl-3-(2,2-difluoroethylamino)propan-2-ol?
1-cyclopentyl-3-(2,2-difluoroethylamino)propan-2-ol has a molecular weight of 207.26 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2,2-difluoroethylamino)propan-2-ol is sourced from PubChem (CID 103158170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).