[3-amino-1-[fluoro(hydroxy)methyl]cyclobutyl]-fluoromethanol

C6H11F2NO2 — CID 134285106

IUPAC[3-amino-1-[fluoro(hydroxy)methyl]cyclobutyl]-fluoromethanol
SMILESNC1CC(C(O)F)(C(O)F)C1
InChIInChI=1S/C6H11F2NO2/c7-4(10)6(5(8)11)1-3(9)2-6/h3-5,10-11H,1-2,9H2
InChIKeyZLKQVUIZRSDVEO-UHFFFAOYSA-N
MW167.16 g/mol
LogP-0.33
Rot. Bonds2

About [3-amino-1-[fluoro(hydroxy)methyl]cyclobutyl]-fluoromethanol

[3-amino-1-[fluoro(hydroxy)methyl]cyclobutyl]-fluoromethanol (PubChem CID 134285106) has the molecular formula C6H11F2NO2 and a molecular weight of 167.16 g/mol. Its IUPAC name is [3-amino-1-[fluoro(hydroxy)methyl]cyclobutyl]-fluoromethanol.

Molecular Properties

Compound Name[3-amino-1-[fluoro(hydroxy)methyl]cyclobutyl]-fluoromethanol
PubChem CID134285106
Molecular FormulaC6H11F2NO2
Molecular Weight167.16 g/mol
Exact Mass167.08
IUPAC Name[3-amino-1-[fluoro(hydroxy)methyl]cyclobutyl]-fluoromethanol
SMILESNC1CC(C(O)F)(C(O)F)C1
InChIInChI=1S/C6H11F2NO2/c7-4(10)6(5(8)11)1-3(9)2-6/h3-5,10-11H,1-2,9H2
InChIKeyZLKQVUIZRSDVEO-UHFFFAOYSA-N
XLogP-0.33
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-3-(2-methylprop-1-enyl)cyclobutan-1-amine
CID 112563988
3-amino-1-propan-2-ylcyclobutan-1-ol
CID 80561373
cyclobutane-1,1,3-triamine
CID 59409075
[3-amino-1-(hydroxymethyl)cyclobutyl]methanol
CID 55285809
3,3-bis(trifluoromethyl)cyclobutan-1-amine
CID 50989714
3,3-dimethylcyclobutan-1-amine
CID 14988402
6-aminospiro[3.3]heptan-2-ol;hydrochloride
CID 126570101
2,2-difluorospiro[3.3]heptan-6-amine
CID 54595506
1-(3-amino-1-hydroxycyclobutyl)-2-methylpropan-1-one
CID 58503260
3-amino-1-ethylcyclobutan-1-ol
CID 80561372
3-amino-1-(trifluoromethyl)cyclobutane-1-carboxylic acid;hydrochloride
CID 155820000
sodium;hydride;3,3,4,4-tetramethylcyclopentan-1-amine
CID 173274170

Frequently Asked Questions

What is the IUPAC name of [3-amino-1-[fluoro(hydroxy)methyl]cyclobutyl]-fluoromethanol?
The IUPAC name of [3-amino-1-[fluoro(hydroxy)methyl]cyclobutyl]-fluoromethanol (CID 134285106) is [3-amino-1-[fluoro(hydroxy)methyl]cyclobutyl]-fluoromethanol.
What is the SMILES notation for [3-amino-1-[fluoro(hydroxy)methyl]cyclobutyl]-fluoromethanol?
The canonical SMILES for [3-amino-1-[fluoro(hydroxy)methyl]cyclobutyl]-fluoromethanol is NC1CC(C(O)F)(C(O)F)C1.
What is the InChIKey of [3-amino-1-[fluoro(hydroxy)methyl]cyclobutyl]-fluoromethanol?
The InChIKey is ZLKQVUIZRSDVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2/c7-4(10)6(5(8)11)1-3(9)2-6/h3-5,10-11H,1-2,9H2.
What are the key properties of [3-amino-1-[fluoro(hydroxy)methyl]cyclobutyl]-fluoromethanol?
[3-amino-1-[fluoro(hydroxy)methyl]cyclobutyl]-fluoromethanol has a molecular weight of 167.16 g/mol, XLogP of -0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-1-[fluoro(hydroxy)methyl]cyclobutyl]-fluoromethanol is sourced from PubChem (CID 134285106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).