1-amino-3-(2,2-difluorocyclopentyl)propan-2-ol

C8H15F2NO — CID 130908693

IUPAC1-amino-3-(2,2-difluorocyclopentyl)propan-2-ol
SMILESNCC(O)CC1CCCC1(F)F
InChIInChI=1S/C8H15F2NO/c9-8(10)3-1-2-6(8)4-7(12)5-11/h6-7,12H,1-5,11H2
InChIKeyQTYATQYGJKZASC-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.13
Rot. Bonds3

About 1-amino-3-(2,2-difluorocyclopentyl)propan-2-ol

1-amino-3-(2,2-difluorocyclopentyl)propan-2-ol (PubChem CID 130908693) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 1-amino-3-(2,2-difluorocyclopentyl)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(2,2-difluorocyclopentyl)propan-2-ol
PubChem CID130908693
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name1-amino-3-(2,2-difluorocyclopentyl)propan-2-ol
SMILESNCC(O)CC1CCCC1(F)F
InChIInChI=1S/C8H15F2NO/c9-8(10)3-1-2-6(8)4-7(12)5-11/h6-7,12H,1-5,11H2
InChIKeyQTYATQYGJKZASC-UHFFFAOYSA-N
XLogP1.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2-difluorocyclopentyl)propan-1-amine
CID 105432125
(2,2-difluorocyclohexyl)methanamine;hydrochloride
CID 105441933
1-amino-3-cyclobutylpropan-2-ol
CID 83478744
N-[(2,2-difluorocyclopentyl)methyl]formamide
CID 130921420
2-(2,2-difluorocyclopentyl)ethanesulfonamide
CID 165486158
2,2-difluorocyclohexan-1-amine;formic acid
CID 126843056
trans-(1R,6R)-6-amino-2,2-difluorocyclohexan-1-ol
CID 124565378
trans-(1S,2S)-2-amino-3,3-difluorocyclohexan-1-ol
CID 58385996
N'-[(2,2-difluorocyclopentyl)methyl]azepane-1-carboximidamide
CID 122097721
ethyl 2-[(1S)-2,2-difluorocyclohexyl]acetate
CID 95170239
2-(3-chloro-2,2-dimethylpropyl)-1,1-difluorocyclopentane
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2-amino-N-(2,3-dihydroxypropyl)-1-methylcyclopentane-1-carboxamide
CID 82768544

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2,2-difluorocyclopentyl)propan-2-ol?
The IUPAC name of 1-amino-3-(2,2-difluorocyclopentyl)propan-2-ol (CID 130908693) is 1-amino-3-(2,2-difluorocyclopentyl)propan-2-ol.
What is the SMILES notation for 1-amino-3-(2,2-difluorocyclopentyl)propan-2-ol?
The canonical SMILES for 1-amino-3-(2,2-difluorocyclopentyl)propan-2-ol is NCC(O)CC1CCCC1(F)F.
What is the InChIKey of 1-amino-3-(2,2-difluorocyclopentyl)propan-2-ol?
The InChIKey is QTYATQYGJKZASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c9-8(10)3-1-2-6(8)4-7(12)5-11/h6-7,12H,1-5,11H2.
What are the key properties of 1-amino-3-(2,2-difluorocyclopentyl)propan-2-ol?
1-amino-3-(2,2-difluorocyclopentyl)propan-2-ol has a molecular weight of 179.21 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2,2-difluorocyclopentyl)propan-2-ol is sourced from PubChem (CID 130908693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).