3-chloro-2-prop-1-en-2-ylfuran

C7H7ClO — CID 139986372

IUPAC3-chloro-2-prop-1-en-2-ylfuran
SMILESC=C(C)c1occc1Cl
InChIInChI=1S/C7H7ClO/c1-5(2)7-6(8)3-4-9-7/h3-4H,1H2,2H3
InChIKeyJVRUUYZWGIHKAQ-UHFFFAOYSA-N
MW142.58 g/mol
LogP2.97
Rot. Bonds1

About 3-chloro-2-prop-1-en-2-ylfuran

3-chloro-2-prop-1-en-2-ylfuran (PubChem CID 139986372) has the molecular formula C7H7ClO and a molecular weight of 142.58 g/mol. Its IUPAC name is 3-chloro-2-prop-1-en-2-ylfuran.

Molecular Properties

Compound Name3-chloro-2-prop-1-en-2-ylfuran
PubChem CID139986372
Molecular FormulaC7H7ClO
Molecular Weight142.58 g/mol
Exact Mass142.02
IUPAC Name3-chloro-2-prop-1-en-2-ylfuran
SMILESC=C(C)c1occc1Cl
InChIInChI=1S/C7H7ClO/c1-5(2)7-6(8)3-4-9-7/h3-4H,1H2,2H3
InChIKeyJVRUUYZWGIHKAQ-UHFFFAOYSA-N
XLogP2.97
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.58
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Ethylfuran
CID 18554
2-(Chloromethyl)furan
CID 219520
4-Chloro-2-phenylfuran
CID 69397490
4-Chloro-2-(cyclohexen-1-yl)furan
CID 11446723
3-Chloro-2-octylfuran
CID 85605352
4-Chlorofuran-2-carbaldehyde
CID 12238721
3-(Chloromethyl)-2-methylfuran
CID 12368169
2-(Prop-1-en-2-yl)furan
CID 12411964
(E)-3-(furan-2-yl)but-2-enal
CID 12601620
2-(Chloromethyl)-5-methylfuran
CID 12665097
2-(3-Methyl-2-butenyl)furan
CID 13202607
2-Dichloromethylfuran
CID 13308664

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-prop-1-en-2-ylfuran?
The IUPAC name of 3-chloro-2-prop-1-en-2-ylfuran (CID 139986372) is 3-chloro-2-prop-1-en-2-ylfuran.
What is the SMILES notation for 3-chloro-2-prop-1-en-2-ylfuran?
The canonical SMILES for 3-chloro-2-prop-1-en-2-ylfuran is C=C(C)c1occc1Cl.
What is the InChIKey of 3-chloro-2-prop-1-en-2-ylfuran?
The InChIKey is JVRUUYZWGIHKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO/c1-5(2)7-6(8)3-4-9-7/h3-4H,1H2,2H3.
What are the key properties of 3-chloro-2-prop-1-en-2-ylfuran?
3-chloro-2-prop-1-en-2-ylfuran has a molecular weight of 142.58 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-prop-1-en-2-ylfuran is sourced from PubChem (CID 139986372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).