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

C11H12F2O — CID 105451349

IUPAC(3,3-difluoro-1-phenylcyclobutyl)methanol
SMILESOCC1(c2ccccc2)CC(F)(F)C1
InChIInChI=1S/C11H12F2O/c12-11(13)6-10(7-11,8-14)9-4-2-1-3-5-9/h1-5,14H,6-8H2
InChIKeyPMFWPUQPLMBQGG-UHFFFAOYSA-N
MW198.21 g/mol
LogP2.35
Rot. Bonds2

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

(3,3-difluoro-1-phenylcyclobutyl)methanol (PubChem CID 105451349) has the molecular formula C11H12F2O and a molecular weight of 198.21 g/mol. Its IUPAC name is (3,3-difluoro-1-phenylcyclobutyl)methanol.

Molecular Properties

Compound Name(3,3-difluoro-1-phenylcyclobutyl)methanol
PubChem CID105451349
Molecular FormulaC11H12F2O
Molecular Weight198.21 g/mol
Exact Mass198.09
IUPAC Name(3,3-difluoro-1-phenylcyclobutyl)methanol
SMILESOCC1(c2ccccc2)CC(F)(F)C1
InChIInChI=1S/C11H12F2O/c12-11(13)6-10(7-11,8-14)9-4-2-1-3-5-9/h1-5,14H,6-8H2
InChIKeyPMFWPUQPLMBQGG-UHFFFAOYSA-N
XLogP2.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoro-1-phenylcyclobutyl)methanol?
The IUPAC name of (3,3-difluoro-1-phenylcyclobutyl)methanol (CID 105451349) is (3,3-difluoro-1-phenylcyclobutyl)methanol.
What is the SMILES notation for (3,3-difluoro-1-phenylcyclobutyl)methanol?
The canonical SMILES for (3,3-difluoro-1-phenylcyclobutyl)methanol is OCC1(c2ccccc2)CC(F)(F)C1.
What is the InChIKey of (3,3-difluoro-1-phenylcyclobutyl)methanol?
The InChIKey is PMFWPUQPLMBQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O/c12-11(13)6-10(7-11,8-14)9-4-2-1-3-5-9/h1-5,14H,6-8H2.
What are the key properties of (3,3-difluoro-1-phenylcyclobutyl)methanol?
(3,3-difluoro-1-phenylcyclobutyl)methanol has a molecular weight of 198.21 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoro-1-phenylcyclobutyl)methanol is sourced from PubChem (CID 105451349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).