N-methylmethanimine;1,1,1,3,3-pentafluoroheptane

C9H16F5N — CID 156799901

IUPACN-methylmethanimine;1,1,1,3,3-pentafluoroheptane
SMILESC=NC.CCCCC(F)(F)CC(F)(F)F
InChIInChI=1S/C7H11F5.C2H5N/c1-2-3-4-6(8,9)5-7(10,11)12;1-3-2/h2-5H2,1H3;1H2,2H3
InChIKeyYKPRTVVREPMIDH-UHFFFAOYSA-N
MW233.22 g/mol
LogP4.08
Rot. Bonds4

About N-methylmethanimine;1,1,1,3,3-pentafluoroheptane

N-methylmethanimine;1,1,1,3,3-pentafluoroheptane (PubChem CID 156799901) has the molecular formula C9H16F5N and a molecular weight of 233.22 g/mol. Its IUPAC name is N-methylmethanimine;1,1,1,3,3-pentafluoroheptane.

Molecular Properties

Compound NameN-methylmethanimine;1,1,1,3,3-pentafluoroheptane
PubChem CID156799901
Molecular FormulaC9H16F5N
Molecular Weight233.22 g/mol
Exact Mass233.12
IUPAC NameN-methylmethanimine;1,1,1,3,3-pentafluoroheptane
SMILESC=NC.CCCCC(F)(F)CC(F)(F)F
InChIInChI=1S/C7H11F5.C2H5N/c1-2-3-4-6(8,9)5-7(10,11)12;1-3-2/h2-5H2,1H3;1H2,2H3
InChIKeyYKPRTVVREPMIDH-UHFFFAOYSA-N
XLogP4.08
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5,5-difluorononane
CID 21410163
iron(3+);1,1,1-trifluoropentane
CID 161198772
5,7-dihydroxy-5,7-bis(2,2,2-trifluoroethyl)undecan-6-one
CID 139651146
1,1,1,7,7-pentafluoroheptadecane
CID 54180623
5-butyl-1,1,1,3,3,7,7,9,9,9-decafluorononane
CID 158240546
3,3-difluorooctane
CID 54258569
1-(2-methylhexan-2-yl)-2-(2,2,2-trifluoroethyl)hydrazine
CID 130292611
N-(4-methyloctan-4-yl)methanimine
CID 163935005
2-methyl-2-(2,2,2-trifluoroethyl)hexanoic acid
CID 143517262
3,3-difluoro-N-propylheptan-1-amine
CID 170379370
3-methylbut-1-ene;1,1,1-trifluoropentane
CID 177138498
1,1,1,3,3,5,5,7,7-nonafluorononane
CID 58352388

Frequently Asked Questions

What is the IUPAC name of N-methylmethanimine;1,1,1,3,3-pentafluoroheptane?
The IUPAC name of N-methylmethanimine;1,1,1,3,3-pentafluoroheptane (CID 156799901) is N-methylmethanimine;1,1,1,3,3-pentafluoroheptane.
What is the SMILES notation for N-methylmethanimine;1,1,1,3,3-pentafluoroheptane?
The canonical SMILES for N-methylmethanimine;1,1,1,3,3-pentafluoroheptane is C=NC.CCCCC(F)(F)CC(F)(F)F.
What is the InChIKey of N-methylmethanimine;1,1,1,3,3-pentafluoroheptane?
The InChIKey is YKPRTVVREPMIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F5.C2H5N/c1-2-3-4-6(8,9)5-7(10,11)12;1-3-2/h2-5H2,1H3;1H2,2H3.
What are the key properties of N-methylmethanimine;1,1,1,3,3-pentafluoroheptane?
N-methylmethanimine;1,1,1,3,3-pentafluoroheptane has a molecular weight of 233.22 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanimine;1,1,1,3,3-pentafluoroheptane is sourced from PubChem (CID 156799901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).