N,N-dimethylmethanamine;3-(1-fluoropropoxy)-2-methylprop-1-ene

C10H22FNO — CID 87225126

IUPACN,N-dimethylmethanamine;3-(1-fluoropropoxy)-2-methylprop-1-ene
SMILESC=C(C)COC(F)CC.CN(C)C
InChIInChI=1S/C7H13FO.C3H9N/c1-4-7(8)9-5-6(2)3;1-4(2)3/h7H,2,4-5H2,1,3H3;1-3H3
InChIKeyKRRFTKDWYOHWPJ-UHFFFAOYSA-N
MW191.29 g/mol
LogP2.46
Rot. Bonds4

About N,N-dimethylmethanamine;3-(1-fluoropropoxy)-2-methylprop-1-ene

N,N-dimethylmethanamine;3-(1-fluoropropoxy)-2-methylprop-1-ene (PubChem CID 87225126) has the molecular formula C10H22FNO and a molecular weight of 191.29 g/mol. Its IUPAC name is N,N-dimethylmethanamine;3-(1-fluoropropoxy)-2-methylprop-1-ene.

Molecular Properties

Compound NameN,N-dimethylmethanamine;3-(1-fluoropropoxy)-2-methylprop-1-ene
PubChem CID87225126
Molecular FormulaC10H22FNO
Molecular Weight191.29 g/mol
Exact Mass191.17
IUPAC NameN,N-dimethylmethanamine;3-(1-fluoropropoxy)-2-methylprop-1-ene
SMILESC=C(C)COC(F)CC.CN(C)C
InChIInChI=1S/C7H13FO.C3H9N/c1-4-7(8)9-5-6(2)3;1-4(2)3/h7H,2,4-5H2,1,3H3;1-3H3
InChIKeyKRRFTKDWYOHWPJ-UHFFFAOYSA-N
XLogP2.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.29
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;3-(1-fluoropropoxy)-2-methylprop-1-ene?
The IUPAC name of N,N-dimethylmethanamine;3-(1-fluoropropoxy)-2-methylprop-1-ene (CID 87225126) is N,N-dimethylmethanamine;3-(1-fluoropropoxy)-2-methylprop-1-ene.
What is the SMILES notation for N,N-dimethylmethanamine;3-(1-fluoropropoxy)-2-methylprop-1-ene?
The canonical SMILES for N,N-dimethylmethanamine;3-(1-fluoropropoxy)-2-methylprop-1-ene is C=C(C)COC(F)CC.CN(C)C.
What is the InChIKey of N,N-dimethylmethanamine;3-(1-fluoropropoxy)-2-methylprop-1-ene?
The InChIKey is KRRFTKDWYOHWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO.C3H9N/c1-4-7(8)9-5-6(2)3;1-4(2)3/h7H,2,4-5H2,1,3H3;1-3H3.
What are the key properties of N,N-dimethylmethanamine;3-(1-fluoropropoxy)-2-methylprop-1-ene?
N,N-dimethylmethanamine;3-(1-fluoropropoxy)-2-methylprop-1-ene has a molecular weight of 191.29 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;3-(1-fluoropropoxy)-2-methylprop-1-ene is sourced from PubChem (CID 87225126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).