amino-chloro-(5-ethylfuran-2-yl)methanol

C7H10ClNO2 — CID 174460893

IUPACamino-chloro-(5-ethylfuran-2-yl)methanol
SMILESCCc1ccc(C(N)(O)Cl)o1
InChIInChI=1S/C7H10ClNO2/c1-2-5-3-4-6(11-5)7(8,9)10/h3-4,10H,2,9H2,1H3
InChIKeyBFHOVOOXSLEFQQ-UHFFFAOYSA-N
MW175.62 g/mol
LogP1.14
Rot. Bonds2

About amino-chloro-(5-ethylfuran-2-yl)methanol

amino-chloro-(5-ethylfuran-2-yl)methanol (PubChem CID 174460893) has the molecular formula C7H10ClNO2 and a molecular weight of 175.62 g/mol. Its IUPAC name is amino-chloro-(5-ethylfuran-2-yl)methanol.

Molecular Properties

Compound Nameamino-chloro-(5-ethylfuran-2-yl)methanol
PubChem CID174460893
Molecular FormulaC7H10ClNO2
Molecular Weight175.62 g/mol
Exact Mass175.04
IUPAC Nameamino-chloro-(5-ethylfuran-2-yl)methanol
SMILESCCc1ccc(C(N)(O)Cl)o1
InChIInChI=1S/C7H10ClNO2/c1-2-5-3-4-6(11-5)7(8,9)10/h3-4,10H,2,9H2,1H3
InChIKeyBFHOVOOXSLEFQQ-UHFFFAOYSA-N
XLogP1.14
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.62
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino-chloro-(5-ethylfuran-2-yl)methanol?
The IUPAC name of amino-chloro-(5-ethylfuran-2-yl)methanol (CID 174460893) is amino-chloro-(5-ethylfuran-2-yl)methanol.
What is the SMILES notation for amino-chloro-(5-ethylfuran-2-yl)methanol?
The canonical SMILES for amino-chloro-(5-ethylfuran-2-yl)methanol is CCc1ccc(C(N)(O)Cl)o1.
What is the InChIKey of amino-chloro-(5-ethylfuran-2-yl)methanol?
The InChIKey is BFHOVOOXSLEFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNO2/c1-2-5-3-4-6(11-5)7(8,9)10/h3-4,10H,2,9H2,1H3.
What are the key properties of amino-chloro-(5-ethylfuran-2-yl)methanol?
amino-chloro-(5-ethylfuran-2-yl)methanol has a molecular weight of 175.62 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-chloro-(5-ethylfuran-2-yl)methanol is sourced from PubChem (CID 174460893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).