2-methylpentyl carbonofluoridate

C7H13FO2 — CID 175528242

IUPAC2-methylpentyl carbonofluoridate
SMILESCCCC(C)COC(=O)F
InChIInChI=1S/C7H13FO2/c1-3-4-6(2)5-10-7(8)9/h6H,3-5H2,1-2H3
InChIKeyIKQDRESIFQSMES-UHFFFAOYSA-N
MW148.18 g/mol
LogP2.53
Rot. Bonds4

About 2-methylpentyl carbonofluoridate

2-methylpentyl carbonofluoridate (PubChem CID 175528242) has the molecular formula C7H13FO2 and a molecular weight of 148.18 g/mol. Its IUPAC name is 2-methylpentyl carbonofluoridate.

Molecular Properties

Compound Name2-methylpentyl carbonofluoridate
PubChem CID175528242
Molecular FormulaC7H13FO2
Molecular Weight148.18 g/mol
Exact Mass148.09
IUPAC Name2-methylpentyl carbonofluoridate
SMILESCCCC(C)COC(=O)F
InChIInChI=1S/C7H13FO2/c1-3-4-6(2)5-10-7(8)9/h6H,3-5H2,1-2H3
InChIKeyIKQDRESIFQSMES-UHFFFAOYSA-N
XLogP2.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylpentyl 2-aminopropanoate
CID 103284268
2-methylpentyl 3-amino-2-methylpropanoate
CID 103284221
2-iodopropyl carbonofluoridate
CID 118465559
2-methylpentyl 4-amino-2-hydroxybutanoate
CID 107837690
bis(2-methylpentyl) heptanedioate
CID 91718408
2-methylpentyl 2-hydroxy-2-methylpropanoate
CID 89018775
2-methylpentyl 2-amino-3-methylpentanoate
CID 103284350
1-(2-methylpentoxy)-1-oxopropane-2-sulfinic acid
CID 91216375
2-methylpentyl (2R)-2-amino-4-methylpentanoate
CID 103284088
2-amino-3-(2-methylpentoxy)propanoic acid
CID 103282764
2-methylpentyl 4-amino-2,6-difluorobenzoate
CID 114217298
2-methylpentyl 2-amino-5-methoxypentanoate
CID 103284131

Frequently Asked Questions

What is the IUPAC name of 2-methylpentyl carbonofluoridate?
The IUPAC name of 2-methylpentyl carbonofluoridate (CID 175528242) is 2-methylpentyl carbonofluoridate.
What is the SMILES notation for 2-methylpentyl carbonofluoridate?
The canonical SMILES for 2-methylpentyl carbonofluoridate is CCCC(C)COC(=O)F.
What is the InChIKey of 2-methylpentyl carbonofluoridate?
The InChIKey is IKQDRESIFQSMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO2/c1-3-4-6(2)5-10-7(8)9/h6H,3-5H2,1-2H3.
What are the key properties of 2-methylpentyl carbonofluoridate?
2-methylpentyl carbonofluoridate has a molecular weight of 148.18 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentyl carbonofluoridate is sourced from PubChem (CID 175528242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).