(1,1-difluoro-2,2-dimethylpropyl)cyclobutane

C9H16F2 — CID 176747969

IUPAC(1,1-difluoro-2,2-dimethylpropyl)cyclobutane
SMILESCC(C)(C)C(F)(F)C1CCC1
InChIInChI=1S/C9H16F2/c1-8(2,3)9(10,11)7-5-4-6-7/h7H,4-6H2,1-3H3
InChIKeyBVPMAKVTHXAVAX-UHFFFAOYSA-N
MW162.22 g/mol
LogP3.47
Rot. Bonds1

About (1,1-difluoro-2,2-dimethylpropyl)cyclobutane

(1,1-difluoro-2,2-dimethylpropyl)cyclobutane (PubChem CID 176747969) has the molecular formula C9H16F2 and a molecular weight of 162.22 g/mol. Its IUPAC name is (1,1-difluoro-2,2-dimethylpropyl)cyclobutane.

Molecular Properties

Compound Name(1,1-difluoro-2,2-dimethylpropyl)cyclobutane
PubChem CID176747969
Molecular FormulaC9H16F2
Molecular Weight162.22 g/mol
Exact Mass162.12
IUPAC Name(1,1-difluoro-2,2-dimethylpropyl)cyclobutane
SMILESCC(C)(C)C(F)(F)C1CCC1
InChIInChI=1S/C9H16F2/c1-8(2,3)9(10,11)7-5-4-6-7/h7H,4-6H2,1-3H3
InChIKeyBVPMAKVTHXAVAX-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.22
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 115058491
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CID 90817555
2-cyclobutyl-1,1,1-trifluoropropan-2-ol
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1,4-ditert-butylcycloheptane
CID 58579546
1,3-bis(1,1,2,2,2-pentafluoroethyl)cyclohexane
CID 87190374
(2-bromo-1,1,2,2-tetrafluoroethyl)cyclohexane
CID 557964
2-cyclobutyl-2-fluoro-N-methylpropan-1-amine
CID 105428809
(1,1,1-trifluoro-2-iodopropan-2-yl)cyclopentane
CID 67943908
(2-chloro-1,1,1-trifluoropropan-2-yl)cyclopentane
CID 161477693
cyclopentane;[difluoro(methoxy)methyl]cyclobutane
CID 54534938
3-cyclobutyl-3-fluoro-2,2-dimethylbutanoic acid
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tert-butylcyclobutane;tert-butylcyclohexane;ethane
CID 167597631

Frequently Asked Questions

What is the IUPAC name of (1,1-difluoro-2,2-dimethylpropyl)cyclobutane?
The IUPAC name of (1,1-difluoro-2,2-dimethylpropyl)cyclobutane (CID 176747969) is (1,1-difluoro-2,2-dimethylpropyl)cyclobutane.
What is the SMILES notation for (1,1-difluoro-2,2-dimethylpropyl)cyclobutane?
The canonical SMILES for (1,1-difluoro-2,2-dimethylpropyl)cyclobutane is CC(C)(C)C(F)(F)C1CCC1.
What is the InChIKey of (1,1-difluoro-2,2-dimethylpropyl)cyclobutane?
The InChIKey is BVPMAKVTHXAVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2/c1-8(2,3)9(10,11)7-5-4-6-7/h7H,4-6H2,1-3H3.
What are the key properties of (1,1-difluoro-2,2-dimethylpropyl)cyclobutane?
(1,1-difluoro-2,2-dimethylpropyl)cyclobutane has a molecular weight of 162.22 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-difluoro-2,2-dimethylpropyl)cyclobutane is sourced from PubChem (CID 176747969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).