(2,2-difluorocyclobutyl)benzene

C10H10F2 — CID 91804683

IUPAC(2,2-difluorocyclobutyl)benzene
SMILESFC1(F)CCC1c1ccccc1
InChIInChI=1S/C10H10F2/c11-10(12)7-6-9(10)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyMQNRWSFIRDLBLU-UHFFFAOYSA-N
MW168.19 g/mol
LogP3.20
Rot. Bonds1

About (2,2-difluorocyclobutyl)benzene

(2,2-difluorocyclobutyl)benzene (PubChem CID 91804683) has the molecular formula C10H10F2 and a molecular weight of 168.19 g/mol. Its IUPAC name is (2,2-difluorocyclobutyl)benzene.

Molecular Properties

Compound Name(2,2-difluorocyclobutyl)benzene
PubChem CID91804683
Molecular FormulaC10H10F2
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name(2,2-difluorocyclobutyl)benzene
SMILESFC1(F)CCC1c1ccccc1
InChIInChI=1S/C10H10F2/c11-10(12)7-6-9(10)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyMQNRWSFIRDLBLU-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(4R)-3,3-difluoro-4-phenylpiperidine
CID 97032408
2-(2,2-difluorocyclobutyl)phenol
CID 115016628
7-phenyl-2-azaspiro[3.3]heptane
CID 121206984
[2-(2,2-difluorocyclobutyl)phenyl]methanamine
CID 115020974
(2-ethyl-2-methylcyclobutyl)benzene
CID 173466674
(1S)-1-amino-2-phenylcyclobutane-1-carboxylic acid
CID 155893335
cis-(1S,2S)-1-methyl-2-phenylcyclobutane-1-carboxylic acid
CID 99992019
3,3-difluoro-2-phenylpyrrolidine;hydrochloride
CID 84724544
(2R)-2-phenylcyclobutane-1,1-dicarboxylate
CID 7203604
4-(2,2-difluorocyclohexyl)phenol
CID 83855789
trans-(1R,2R)-1-ethynyl-2-phenylcyclobutan-1-ol
CID 11958011
(4R)-5,5-difluoro-4-phenyl-1,3-oxazinan-2-one
CID 171188729

Frequently Asked Questions

What is the IUPAC name of (2,2-difluorocyclobutyl)benzene?
The IUPAC name of (2,2-difluorocyclobutyl)benzene (CID 91804683) is (2,2-difluorocyclobutyl)benzene.
What is the SMILES notation for (2,2-difluorocyclobutyl)benzene?
The canonical SMILES for (2,2-difluorocyclobutyl)benzene is FC1(F)CCC1c1ccccc1.
What is the InChIKey of (2,2-difluorocyclobutyl)benzene?
The InChIKey is MQNRWSFIRDLBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2/c11-10(12)7-6-9(10)8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of (2,2-difluorocyclobutyl)benzene?
(2,2-difluorocyclobutyl)benzene has a molecular weight of 168.19 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluorocyclobutyl)benzene is sourced from PubChem (CID 91804683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).