2-(4-chloropentan-2-yl)furan

C9H13ClO — CID 64720798

IUPAC2-(4-chloropentan-2-yl)furan
SMILESCC(Cl)CC(C)c1ccco1
InChIInChI=1S/C9H13ClO/c1-7(6-8(2)10)9-4-3-5-11-9/h3-5,7-8H,6H2,1-2H3
InChIKeyQGMOJEYFAPCFDS-UHFFFAOYSA-N
MW172.66 g/mol
LogP3.40
Rot. Bonds3

About 2-(4-chloropentan-2-yl)furan

2-(4-chloropentan-2-yl)furan (PubChem CID 64720798) has the molecular formula C9H13ClO and a molecular weight of 172.66 g/mol. Its IUPAC name is 2-(4-chloropentan-2-yl)furan.

Molecular Properties

Compound Name2-(4-chloropentan-2-yl)furan
PubChem CID64720798
Molecular FormulaC9H13ClO
Molecular Weight172.66 g/mol
Exact Mass172.07
IUPAC Name2-(4-chloropentan-2-yl)furan
SMILESCC(Cl)CC(C)c1ccco1
InChIInChI=1S/C9H13ClO/c1-7(6-8(2)10)9-4-3-5-11-9/h3-5,7-8H,6H2,1-2H3
InChIKeyQGMOJEYFAPCFDS-UHFFFAOYSA-N
XLogP3.40
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.66
LogP ≤ 53.40
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

2-[(2R)-1-nitropropan-2-yl]furan
CID 11159438
2-nonan-2-ylfuran
CID 160791396
(1S,3S)-1-(furan-2-yl)butane-1,3-diol
CID 46177371
(2S,3S,4S,6R)-2-ethyl-6-(furan-2-yl)-4-methylheptane-1,3-diol
CID 10657695
1-(furan-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 86263007
1-[1-(furan-2-yl)ethylamino]-2-methylpropan-2-ol
CID 60885068
2-[1-(5-ethylthiophen-2-yl)propan-2-yl]furan
CID 166661118
1-(furan-2-yl)pentane-1,3,4-triol
CID 175602784
(1R,3R)-3-amino-1-(furan-2-yl)butan-1-ol
CID 95975775
(1S,3R)-3-amino-1-(furan-2-yl)butan-1-ol
CID 95975773
(E)-3-chloro-N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine
CID 104578507
1-(furan-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403040

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropentan-2-yl)furan?
The IUPAC name of 2-(4-chloropentan-2-yl)furan (CID 64720798) is 2-(4-chloropentan-2-yl)furan.
What is the SMILES notation for 2-(4-chloropentan-2-yl)furan?
The canonical SMILES for 2-(4-chloropentan-2-yl)furan is CC(Cl)CC(C)c1ccco1.
What is the InChIKey of 2-(4-chloropentan-2-yl)furan?
The InChIKey is QGMOJEYFAPCFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClO/c1-7(6-8(2)10)9-4-3-5-11-9/h3-5,7-8H,6H2,1-2H3.
What are the key properties of 2-(4-chloropentan-2-yl)furan?
2-(4-chloropentan-2-yl)furan has a molecular weight of 172.66 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropentan-2-yl)furan is sourced from PubChem (CID 64720798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).