3-[[1-(chloromethyl)cyclobutyl]methyl]furan

C10H13ClO — CID 83182335

IUPAC3-[[1-(chloromethyl)cyclobutyl]methyl]furan
SMILESClCC1(Cc2ccoc2)CCC1
InChIInChI=1S/C10H13ClO/c11-8-10(3-1-4-10)6-9-2-5-12-7-9/h2,5,7H,1,3-4,6,8H2
InChIKeyBPVQLUJXXHTHIF-UHFFFAOYSA-N
MW184.67 g/mol
LogP3.23
Rot. Bonds3

About 3-[[1-(chloromethyl)cyclobutyl]methyl]furan

3-[[1-(chloromethyl)cyclobutyl]methyl]furan (PubChem CID 83182335) has the molecular formula C10H13ClO and a molecular weight of 184.67 g/mol. Its IUPAC name is 3-[[1-(chloromethyl)cyclobutyl]methyl]furan.

Molecular Properties

Compound Name3-[[1-(chloromethyl)cyclobutyl]methyl]furan
PubChem CID83182335
Molecular FormulaC10H13ClO
Molecular Weight184.67 g/mol
Exact Mass184.07
IUPAC Name3-[[1-(chloromethyl)cyclobutyl]methyl]furan
SMILESClCC1(Cc2ccoc2)CCC1
InChIInChI=1S/C10H13ClO/c11-8-10(3-1-4-10)6-9-2-5-12-7-9/h2,5,7H,1,3-4,6,8H2
InChIKeyBPVQLUJXXHTHIF-UHFFFAOYSA-N
XLogP3.23
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[[1-(chloromethyl)cyclobutyl]methyl]-4-ethylbenzene
CID 66035780
3-(furan-3-ylmethyl)oxan-3-ol
CID 83172042
1-[[1-(chloromethyl)cyclobutyl]methyl]-4-(trifluoromethyl)benzene
CID 66035096
4-[[1-(chloromethyl)cyclopentyl]methyl]-1-methylpyrazole
CID 66035579
2-[1-[(furan-3-ylmethylamino)methyl]cyclobutyl]ethanol
CID 115733135
[2-(furan-3-ylmethyl)-1,3-dihydroinden-2-yl]methanamine
CID 83183020
2-chloro-4-[[1-(chloromethyl)cyclobutyl]methyl]-1-fluorobenzene
CID 103042016
1-(furan-3-ylmethyl)-3,3-dimethylcyclopentan-1-ol
CID 83173185
N-[[4-(furan-3-ylmethyl)oxan-4-yl]methyl]-2-methylpropan-1-amine
CID 83182901
2-[[1-(chloromethyl)cyclobutyl]methyl]thiophene
CID 66036450
2-[[1-(chloromethyl)cyclobutyl]methyl]-5-ethylthiophene
CID 66034874
2-(furan-3-ylmethyl)-2-methylazepane
CID 83182751

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(chloromethyl)cyclobutyl]methyl]furan?
The IUPAC name of 3-[[1-(chloromethyl)cyclobutyl]methyl]furan (CID 83182335) is 3-[[1-(chloromethyl)cyclobutyl]methyl]furan.
What is the SMILES notation for 3-[[1-(chloromethyl)cyclobutyl]methyl]furan?
The canonical SMILES for 3-[[1-(chloromethyl)cyclobutyl]methyl]furan is ClCC1(Cc2ccoc2)CCC1.
What is the InChIKey of 3-[[1-(chloromethyl)cyclobutyl]methyl]furan?
The InChIKey is BPVQLUJXXHTHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO/c11-8-10(3-1-4-10)6-9-2-5-12-7-9/h2,5,7H,1,3-4,6,8H2.
What are the key properties of 3-[[1-(chloromethyl)cyclobutyl]methyl]furan?
3-[[1-(chloromethyl)cyclobutyl]methyl]furan has a molecular weight of 184.67 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(chloromethyl)cyclobutyl]methyl]furan is sourced from PubChem (CID 83182335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).