2-(1-chloro-2,2-dimethylcyclopropyl)furan

C9H11ClO — CID 13308665

IUPAC2-(1-chloro-2,2-dimethylcyclopropyl)furan
SMILESCC1(C)CC1(Cl)c1ccco1
InChIInChI=1S/C9H11ClO/c1-8(2)6-9(8,10)7-4-3-5-11-7/h3-5H,6H2,1-2H3
InChIKeyFJXVAZJUDAHLHH-UHFFFAOYSA-N
MW170.64 g/mol
LogP3.14
Rot. Bonds1

About 2-(1-chloro-2,2-dimethylcyclopropyl)furan

2-(1-chloro-2,2-dimethylcyclopropyl)furan (PubChem CID 13308665) has the molecular formula C9H11ClO and a molecular weight of 170.64 g/mol. Its IUPAC name is 2-(1-chloro-2,2-dimethylcyclopropyl)furan.

Molecular Properties

Compound Name2-(1-chloro-2,2-dimethylcyclopropyl)furan
PubChem CID13308665
Molecular FormulaC9H11ClO
Molecular Weight170.64 g/mol
Exact Mass170.05
IUPAC Name2-(1-chloro-2,2-dimethylcyclopropyl)furan
SMILESCC1(C)CC1(Cl)c1ccco1
InChIInChI=1S/C9H11ClO/c1-8(2)6-9(8,10)7-4-3-5-11-7/h3-5H,6H2,1-2H3
InChIKeyFJXVAZJUDAHLHH-UHFFFAOYSA-N
XLogP3.14
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 53.14
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

4-(furan-2-yl)-4-methylpiperidine
CID 83815867
[1-(furan-2-yl)-2,2-dimethylcyclopropyl]methanamine
CID 83480572
1-(furan-2-yl)-4,4-dimethylcyclohex-2-en-1-ol
CID 14142136
1-chloro-4-(furan-2-yl)cyclohexa-2,5-diene-1,4-diamine
CID 154520184
2-(2-methoxyoxolan-2-yl)furan
CID 141004568
2-[1-(furan-2-yl)cyclopropyl]propan-2-amine
CID 83673829
2-(furan-2-yl)-2,5-dimethyl-1,3-oxazolidine
CID 117228961
2-(furan-2-yl)-2-methylcyclopropane-1-carboxylic acid
CID 62388314
N-ethyl-3-(furan-2-yl)-3-methylcyclopentan-1-amine
CID 116539435
O-[[1-(furan-2-yl)cyclopropyl]methyl]hydroxylamine
CID 83681987
4-(furan-2-yl)-4-methylimidazole
CID 174616774
(3S,4S)-3-amino-4-(furan-2-yl)-1,4-dimethylazetidin-2-one
CID 129451986

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloro-2,2-dimethylcyclopropyl)furan?
The IUPAC name of 2-(1-chloro-2,2-dimethylcyclopropyl)furan (CID 13308665) is 2-(1-chloro-2,2-dimethylcyclopropyl)furan.
What is the SMILES notation for 2-(1-chloro-2,2-dimethylcyclopropyl)furan?
The canonical SMILES for 2-(1-chloro-2,2-dimethylcyclopropyl)furan is CC1(C)CC1(Cl)c1ccco1.
What is the InChIKey of 2-(1-chloro-2,2-dimethylcyclopropyl)furan?
The InChIKey is FJXVAZJUDAHLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO/c1-8(2)6-9(8,10)7-4-3-5-11-7/h3-5H,6H2,1-2H3.
What are the key properties of 2-(1-chloro-2,2-dimethylcyclopropyl)furan?
2-(1-chloro-2,2-dimethylcyclopropyl)furan has a molecular weight of 170.64 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloro-2,2-dimethylcyclopropyl)furan is sourced from PubChem (CID 13308665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).