2-[[1-(chloromethyl)cyclopropyl]methyl]furan

C9H11ClO — CID 66033762

IUPAC2-[[1-(chloromethyl)cyclopropyl]methyl]furan
SMILESClCC1(Cc2ccco2)CC1
InChIInChI=1S/C9H11ClO/c10-7-9(3-4-9)6-8-2-1-5-11-8/h1-2,5H,3-4,6-7H2
InChIKeyZSFNPYINIFDUFX-UHFFFAOYSA-N
MW170.64 g/mol
LogP2.84
Rot. Bonds3

About 2-[[1-(chloromethyl)cyclopropyl]methyl]furan

2-[[1-(chloromethyl)cyclopropyl]methyl]furan (PubChem CID 66033762) has the molecular formula C9H11ClO and a molecular weight of 170.64 g/mol. Its IUPAC name is 2-[[1-(chloromethyl)cyclopropyl]methyl]furan.

Molecular Properties

Compound Name2-[[1-(chloromethyl)cyclopropyl]methyl]furan
PubChem CID66033762
Molecular FormulaC9H11ClO
Molecular Weight170.64 g/mol
Exact Mass170.05
IUPAC Name2-[[1-(chloromethyl)cyclopropyl]methyl]furan
SMILESClCC1(Cc2ccco2)CC1
InChIInChI=1S/C9H11ClO/c10-7-9(3-4-9)6-8-2-1-5-11-8/h1-2,5H,3-4,6-7H2
InChIKeyZSFNPYINIFDUFX-UHFFFAOYSA-N
XLogP2.84
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.84
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

3-(chloromethyl)-3-(furan-2-ylmethyl)oxane
CID 66036401
N-[[1-(furan-2-ylmethyl)cyclopropyl]methyl]cyclopropanamine
CID 66024468
[3-(furan-2-ylmethyl)oxolan-3-yl]methanol
CID 66059212
N-[[1-(furan-2-ylmethyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 65194561
1-(furan-2-ylmethyl)cyclopentane-1-carbonitrile
CID 65379312
N-[[4-(furan-2-ylmethyl)oxan-4-yl]methyl]cyclopropanamine
CID 62999058
4-(furan-2-ylmethyl)-1-phenylpiperidin-4-ol
CID 106820831
4-(furan-2-ylmethyl)azepan-4-ol
CID 83685704
N-[[1-(furan-2-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 63000497
1-[3-(furan-2-ylmethyl)-1,1-dioxothiolan-3-yl]-N-methylmethanamine
CID 82239653
1-(furan-2-ylmethyl)-4-propylcyclohexan-1-ol
CID 83171205
5-(furan-2-ylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 83173134

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(chloromethyl)cyclopropyl]methyl]furan?
The IUPAC name of 2-[[1-(chloromethyl)cyclopropyl]methyl]furan (CID 66033762) is 2-[[1-(chloromethyl)cyclopropyl]methyl]furan.
What is the SMILES notation for 2-[[1-(chloromethyl)cyclopropyl]methyl]furan?
The canonical SMILES for 2-[[1-(chloromethyl)cyclopropyl]methyl]furan is ClCC1(Cc2ccco2)CC1.
What is the InChIKey of 2-[[1-(chloromethyl)cyclopropyl]methyl]furan?
The InChIKey is ZSFNPYINIFDUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO/c10-7-9(3-4-9)6-8-2-1-5-11-8/h1-2,5H,3-4,6-7H2.
What are the key properties of 2-[[1-(chloromethyl)cyclopropyl]methyl]furan?
2-[[1-(chloromethyl)cyclopropyl]methyl]furan has a molecular weight of 170.64 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(chloromethyl)cyclopropyl]methyl]furan is sourced from PubChem (CID 66033762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).