4-(cyclobutyloxymethyl)-1,2-difluorobenzene

C11H12F2O — CID 155941931

IUPAC4-(cyclobutyloxymethyl)-1,2-difluorobenzene
SMILESFc1ccc(COC2CCC2)cc1F
InChIInChI=1S/C11H12F2O/c12-10-5-4-8(6-11(10)13)7-14-9-2-1-3-9/h4-6,9H,1-3,7H2
InChIKeyDJNZPEALJSSLCS-UHFFFAOYSA-N
MW198.21 g/mol
LogP3.03
Rot. Bonds3

About 4-(cyclobutyloxymethyl)-1,2-difluorobenzene

4-(cyclobutyloxymethyl)-1,2-difluorobenzene (PubChem CID 155941931) has the molecular formula C11H12F2O and a molecular weight of 198.21 g/mol. Its IUPAC name is 4-(cyclobutyloxymethyl)-1,2-difluorobenzene.

Molecular Properties

Compound Name4-(cyclobutyloxymethyl)-1,2-difluorobenzene
PubChem CID155941931
Molecular FormulaC11H12F2O
Molecular Weight198.21 g/mol
Exact Mass198.09
IUPAC Name4-(cyclobutyloxymethyl)-1,2-difluorobenzene
SMILESFc1ccc(COC2CCC2)cc1F
InChIInChI=1S/C11H12F2O/c12-10-5-4-8(6-11(10)13)7-14-9-2-1-3-9/h4-6,9H,1-3,7H2
InChIKeyDJNZPEALJSSLCS-UHFFFAOYSA-N
XLogP3.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-[5-(cyclobutyloxymethyl)-2-fluorophenyl]prop-2-yn-1-ol
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[5-(cyclopentyloxymethyl)-2-fluorophenyl]methanamine
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(1R,5S)-3-[(3,4-difluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane
CID 68673997
(1S,5R)-3-[(3,4-difluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
CID 68673996
4-(cyclobutylmethyl)-1,2-difluorobenzene
CID 58414524
1-(cyclobutyloxymethyl)-4-iodobenzene
CID 65490740
2-chloro-4-(cyclobutyloxymethyl)-1-(trifluoromethyl)benzene
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2-fluoro-5-[(3-methoxycyclohexyl)oxymethyl]benzoic acid
CID 107881229
4-[(3-chloro-4-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine
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[(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 93223576
4-[(3-fluoro-4-methoxyphenyl)methoxy]piperidine
CID 43167840

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutyloxymethyl)-1,2-difluorobenzene?
The IUPAC name of 4-(cyclobutyloxymethyl)-1,2-difluorobenzene (CID 155941931) is 4-(cyclobutyloxymethyl)-1,2-difluorobenzene.
What is the SMILES notation for 4-(cyclobutyloxymethyl)-1,2-difluorobenzene?
The canonical SMILES for 4-(cyclobutyloxymethyl)-1,2-difluorobenzene is Fc1ccc(COC2CCC2)cc1F.
What is the InChIKey of 4-(cyclobutyloxymethyl)-1,2-difluorobenzene?
The InChIKey is DJNZPEALJSSLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O/c12-10-5-4-8(6-11(10)13)7-14-9-2-1-3-9/h4-6,9H,1-3,7H2.
What are the key properties of 4-(cyclobutyloxymethyl)-1,2-difluorobenzene?
4-(cyclobutyloxymethyl)-1,2-difluorobenzene has a molecular weight of 198.21 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutyloxymethyl)-1,2-difluorobenzene is sourced from PubChem (CID 155941931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).