1-(2-fluoropropan-2-yl)-3-(isocyanomethyl)cyclopentane

C10H16FN — CID 84765646

IUPAC1-(2-fluoropropan-2-yl)-3-(isocyanomethyl)cyclopentane
SMILES[C-]#[N+]CC1CCC(C(C)(C)F)C1
InChIInChI=1S/C10H16FN/c1-10(2,11)9-5-4-8(6-9)7-12-3/h8-9H,4-7H2,1-2H3
InChIKeyWIALTYNMZNPYGR-UHFFFAOYSA-N
MW169.24 g/mol
LogP3.07
Rot. Bonds2

About 1-(2-fluoropropan-2-yl)-3-(isocyanomethyl)cyclopentane

1-(2-fluoropropan-2-yl)-3-(isocyanomethyl)cyclopentane (PubChem CID 84765646) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is 1-(2-fluoropropan-2-yl)-3-(isocyanomethyl)cyclopentane.

Molecular Properties

Compound Name1-(2-fluoropropan-2-yl)-3-(isocyanomethyl)cyclopentane
PubChem CID84765646
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name1-(2-fluoropropan-2-yl)-3-(isocyanomethyl)cyclopentane
SMILES[C-]#[N+]CC1CCC(C(C)(C)F)C1
InChIInChI=1S/C10H16FN/c1-10(2,11)9-5-4-8(6-9)7-12-3/h8-9H,4-7H2,1-2H3
InChIKeyWIALTYNMZNPYGR-UHFFFAOYSA-N
XLogP3.07
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

isocyanomethylcyclohexane;methanone;2-methylpropane;ruthenium(4+)
CID 169317292
2-[4-(1,1-difluoroethyl)cyclohexyl]ethanamine
CID 84772014
bis(1-tert-butyl-3-ethylcyclopentane);carbanide;iron(2+)
CID 162292801
1-methyl-4-[[4-(trifluoromethyl)cyclohexyl]methyl]cyclohexane
CID 59015376
1-ethyl-3-(2-methylbutan-2-yl)cyclopentane
CID 123901390
methane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane
CID 160612898
2-isocyanoethylcyclopropane
CID 83478494
(3S,5R)-1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]piperidine-3,4,5-triol
CID 166834305
2-(3-tert-butylcyclopentyl)ethanol
CID 23230209
1-[difluoro-(4-methylcyclohexyl)oxymethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane
CID 59938742
1-tert-butyl-4-[(4-tert-butylcyclohexyl)methyl]cyclohexane
CID 59934768
1,4-diethylcyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane
CID 163450163

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoropropan-2-yl)-3-(isocyanomethyl)cyclopentane?
The IUPAC name of 1-(2-fluoropropan-2-yl)-3-(isocyanomethyl)cyclopentane (CID 84765646) is 1-(2-fluoropropan-2-yl)-3-(isocyanomethyl)cyclopentane.
What is the SMILES notation for 1-(2-fluoropropan-2-yl)-3-(isocyanomethyl)cyclopentane?
The canonical SMILES for 1-(2-fluoropropan-2-yl)-3-(isocyanomethyl)cyclopentane is [C-]#[N+]CC1CCC(C(C)(C)F)C1.
What is the InChIKey of 1-(2-fluoropropan-2-yl)-3-(isocyanomethyl)cyclopentane?
The InChIKey is WIALTYNMZNPYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN/c1-10(2,11)9-5-4-8(6-9)7-12-3/h8-9H,4-7H2,1-2H3.
What are the key properties of 1-(2-fluoropropan-2-yl)-3-(isocyanomethyl)cyclopentane?
1-(2-fluoropropan-2-yl)-3-(isocyanomethyl)cyclopentane has a molecular weight of 169.24 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoropropan-2-yl)-3-(isocyanomethyl)cyclopentane is sourced from PubChem (CID 84765646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).