[3,3-difluoro-1-(propan-2-ylamino)cyclobutyl]methanol

C8H15F2NO — CID 146476194

IUPAC[3,3-difluoro-1-(propan-2-ylamino)cyclobutyl]methanol
SMILESCC(C)NC1(CO)CC(F)(F)C1
InChIInChI=1S/C8H15F2NO/c1-6(2)11-7(5-12)3-8(9,10)4-7/h6,11-12H,3-5H2,1-2H3
InChIKeyRDUFCHPUYGHXTL-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.14
Rot. Bonds3

About [3,3-difluoro-1-(propan-2-ylamino)cyclobutyl]methanol

[3,3-difluoro-1-(propan-2-ylamino)cyclobutyl]methanol (PubChem CID 146476194) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is [3,3-difluoro-1-(propan-2-ylamino)cyclobutyl]methanol.

Molecular Properties

Compound Name[3,3-difluoro-1-(propan-2-ylamino)cyclobutyl]methanol
PubChem CID146476194
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name[3,3-difluoro-1-(propan-2-ylamino)cyclobutyl]methanol
SMILESCC(C)NC1(CO)CC(F)(F)C1
InChIInChI=1S/C8H15F2NO/c1-6(2)11-7(5-12)3-8(9,10)4-7/h6,11-12H,3-5H2,1-2H3
InChIKeyRDUFCHPUYGHXTL-UHFFFAOYSA-N
XLogP1.14
TPSA32.26 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 ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3,3-difluoro-1-(propan-2-ylamino)cyclobutyl]methanol?
The IUPAC name of [3,3-difluoro-1-(propan-2-ylamino)cyclobutyl]methanol (CID 146476194) is [3,3-difluoro-1-(propan-2-ylamino)cyclobutyl]methanol.
What is the SMILES notation for [3,3-difluoro-1-(propan-2-ylamino)cyclobutyl]methanol?
The canonical SMILES for [3,3-difluoro-1-(propan-2-ylamino)cyclobutyl]methanol is CC(C)NC1(CO)CC(F)(F)C1.
What is the InChIKey of [3,3-difluoro-1-(propan-2-ylamino)cyclobutyl]methanol?
The InChIKey is RDUFCHPUYGHXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-6(2)11-7(5-12)3-8(9,10)4-7/h6,11-12H,3-5H2,1-2H3.
What are the key properties of [3,3-difluoro-1-(propan-2-ylamino)cyclobutyl]methanol?
[3,3-difluoro-1-(propan-2-ylamino)cyclobutyl]methanol has a molecular weight of 179.21 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-difluoro-1-(propan-2-ylamino)cyclobutyl]methanol is sourced from PubChem (CID 146476194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).