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

C9H17F2NO — CID 164658398

IUPAC3-amino-1-(3,3-difluorocyclopentyl)butan-2-ol
SMILESCC(N)C(O)CC1CCC(F)(F)C1
InChIInChI=1S/C9H17F2NO/c1-6(12)8(13)4-7-2-3-9(10,11)5-7/h6-8,13H,2-5,12H2,1H3
InChIKeyIQZIKCSAHOPKKW-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.52
Rot. Bonds3

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

3-amino-1-(3,3-difluorocyclopentyl)butan-2-ol (PubChem CID 164658398) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 3-amino-1-(3,3-difluorocyclopentyl)butan-2-ol.

Molecular Properties

Compound Name3-amino-1-(3,3-difluorocyclopentyl)butan-2-ol
PubChem CID164658398
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name3-amino-1-(3,3-difluorocyclopentyl)butan-2-ol
SMILESCC(N)C(O)CC1CCC(F)(F)C1
InChIInChI=1S/C9H17F2NO/c1-6(12)8(13)4-7-2-3-9(10,11)5-7/h6-8,13H,2-5,12H2,1H3
InChIKeyIQZIKCSAHOPKKW-UHFFFAOYSA-N
XLogP1.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-difluorocyclopentyl)propan-2-ol
CID 130487406
2-amino-3-(3,3-difluorocyclopentyl)propanamide
CID 130487339
1-(3,3-difluorocyclopentyl)-3,3-difluorobutan-2-ol
CID 127003791
(2S,3R)-3-amino-1-cyclobutylbutan-2-ol
CID 124673545
3-(2-chloro-3-methylbutyl)-1,1-difluorocyclopentane
CID 130487711
1-cyclohexyl-3-(3,3-difluorocyclopentyl)propan-2-ol
CID 114224509
1-(3,3-difluorocyclopentyl)-3-methylbutan-2-one
CID 126974544
1-(3,3-difluorocyclopentyl)-3-(thian-4-yl)propan-2-ol
CID 114225887
2-(3,3-difluorocyclopentyl)ethanol
CID 58879048
methyl (2S)-2-[[(1S)-3,3-difluorocyclopentyl]methyl]butanoate
CID 58484957
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
1-(4-chloro-3-fluorophenyl)-2-(3,3-difluorocyclopentyl)ethanamine
CID 114225791

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,3-difluorocyclopentyl)butan-2-ol?
The IUPAC name of 3-amino-1-(3,3-difluorocyclopentyl)butan-2-ol (CID 164658398) is 3-amino-1-(3,3-difluorocyclopentyl)butan-2-ol.
What is the SMILES notation for 3-amino-1-(3,3-difluorocyclopentyl)butan-2-ol?
The canonical SMILES for 3-amino-1-(3,3-difluorocyclopentyl)butan-2-ol is CC(N)C(O)CC1CCC(F)(F)C1.
What is the InChIKey of 3-amino-1-(3,3-difluorocyclopentyl)butan-2-ol?
The InChIKey is IQZIKCSAHOPKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-6(12)8(13)4-7-2-3-9(10,11)5-7/h6-8,13H,2-5,12H2,1H3.
What are the key properties of 3-amino-1-(3,3-difluorocyclopentyl)butan-2-ol?
3-amino-1-(3,3-difluorocyclopentyl)butan-2-ol has a molecular weight of 193.24 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,3-difluorocyclopentyl)butan-2-ol is sourced from PubChem (CID 164658398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).