(3,3-difluoro-1-iodocyclobutyl)methanol

C5H7F2IO — CID 129077571

IUPAC(3,3-difluoro-1-iodocyclobutyl)methanol
SMILESOCC1(I)CC(F)(F)C1
InChIInChI=1S/C5H7F2IO/c6-5(7)1-4(8,2-5)3-9/h9H,1-3H2
InChIKeyPSJKHYDXBUHZCX-UHFFFAOYSA-N
MW248.01 g/mol
LogP1.58
Rot. Bonds1

About (3,3-difluoro-1-iodocyclobutyl)methanol

(3,3-difluoro-1-iodocyclobutyl)methanol (PubChem CID 129077571) has the molecular formula C5H7F2IO and a molecular weight of 248.01 g/mol. Its IUPAC name is (3,3-difluoro-1-iodocyclobutyl)methanol.

Molecular Properties

Compound Name(3,3-difluoro-1-iodocyclobutyl)methanol
PubChem CID129077571
Molecular FormulaC5H7F2IO
Molecular Weight248.01 g/mol
Exact Mass247.95
IUPAC Name(3,3-difluoro-1-iodocyclobutyl)methanol
SMILESOCC1(I)CC(F)(F)C1
InChIInChI=1S/C5H7F2IO/c6-5(7)1-4(8,2-5)3-9/h9H,1-3H2
InChIKeyPSJKHYDXBUHZCX-UHFFFAOYSA-N
XLogP1.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.01
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4,5,5,5-Tetrafluoro-2-iodo-4-(trifluoromethyl)pentan-1-ol
CID 2782601
(2,3,3-Trifluorocyclobutyl)methanol
CID 68937033
(2S)-4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pentan-1-ol
CID 7016314
(2R)-4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pentan-1-ol
CID 26967857
(1,2,2,3,3,4-Hexafluorocyclobutyl)methanol
CID 130122077
(1,2,2-Trifluorocyclobutyl)methanol
CID 131517468

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoro-1-iodocyclobutyl)methanol?
The IUPAC name of (3,3-difluoro-1-iodocyclobutyl)methanol (CID 129077571) is (3,3-difluoro-1-iodocyclobutyl)methanol.
What is the SMILES notation for (3,3-difluoro-1-iodocyclobutyl)methanol?
The canonical SMILES for (3,3-difluoro-1-iodocyclobutyl)methanol is OCC1(I)CC(F)(F)C1.
What is the InChIKey of (3,3-difluoro-1-iodocyclobutyl)methanol?
The InChIKey is PSJKHYDXBUHZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2IO/c6-5(7)1-4(8,2-5)3-9/h9H,1-3H2.
What are the key properties of (3,3-difluoro-1-iodocyclobutyl)methanol?
(3,3-difluoro-1-iodocyclobutyl)methanol has a molecular weight of 248.01 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoro-1-iodocyclobutyl)methanol is sourced from PubChem (CID 129077571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).