1-(2-fluoropropan-2-yl)-2-(isocyanatomethyl)cyclopentane

C10H16FNO — CID 84769768

IUPAC1-(2-fluoropropan-2-yl)-2-(isocyanatomethyl)cyclopentane
SMILESCC(C)(F)C1CCCC1CN=C=O
InChIInChI=1S/C10H16FNO/c1-10(2,11)9-5-3-4-8(9)6-12-7-13/h8-9H,3-6H2,1-2H3
InChIKeyQAHYVANDAXHFST-UHFFFAOYSA-N
MW185.24 g/mol
LogP2.49
Rot. Bonds3

About 1-(2-fluoropropan-2-yl)-2-(isocyanatomethyl)cyclopentane

1-(2-fluoropropan-2-yl)-2-(isocyanatomethyl)cyclopentane (PubChem CID 84769768) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is 1-(2-fluoropropan-2-yl)-2-(isocyanatomethyl)cyclopentane.

Molecular Properties

Compound Name1-(2-fluoropropan-2-yl)-2-(isocyanatomethyl)cyclopentane
PubChem CID84769768
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Name1-(2-fluoropropan-2-yl)-2-(isocyanatomethyl)cyclopentane
SMILESCC(C)(F)C1CCCC1CN=C=O
InChIInChI=1S/C10H16FNO/c1-10(2,11)9-5-3-4-8(9)6-12-7-13/h8-9H,3-6H2,1-2H3
InChIKeyQAHYVANDAXHFST-UHFFFAOYSA-N
XLogP2.49
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoropropan-2-yl)-2-(isocyanatomethyl)cyclopentane?
The IUPAC name of 1-(2-fluoropropan-2-yl)-2-(isocyanatomethyl)cyclopentane (CID 84769768) is 1-(2-fluoropropan-2-yl)-2-(isocyanatomethyl)cyclopentane.
What is the SMILES notation for 1-(2-fluoropropan-2-yl)-2-(isocyanatomethyl)cyclopentane?
The canonical SMILES for 1-(2-fluoropropan-2-yl)-2-(isocyanatomethyl)cyclopentane is CC(C)(F)C1CCCC1CN=C=O.
What is the InChIKey of 1-(2-fluoropropan-2-yl)-2-(isocyanatomethyl)cyclopentane?
The InChIKey is QAHYVANDAXHFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO/c1-10(2,11)9-5-3-4-8(9)6-12-7-13/h8-9H,3-6H2,1-2H3.
What are the key properties of 1-(2-fluoropropan-2-yl)-2-(isocyanatomethyl)cyclopentane?
1-(2-fluoropropan-2-yl)-2-(isocyanatomethyl)cyclopentane has a molecular weight of 185.24 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoropropan-2-yl)-2-(isocyanatomethyl)cyclopentane is sourced from PubChem (CID 84769768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).