N,N-dimethylmethanamine;2,4,5-trifluorobenzaldehyde

C10H12F3NO — CID 143152028

IUPACN,N-dimethylmethanamine;2,4,5-trifluorobenzaldehyde
SMILESCN(C)C.O=Cc1cc(F)c(F)cc1F
InChIInChI=1S/C7H3F3O.C3H9N/c8-5-2-7(10)6(9)1-4(5)3-11;1-4(2)3/h1-3H;1-3H3
InChIKeyUYWQIBRJXKYNJC-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.09
Rot. Bonds1

About N,N-dimethylmethanamine;2,4,5-trifluorobenzaldehyde

N,N-dimethylmethanamine;2,4,5-trifluorobenzaldehyde (PubChem CID 143152028) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is N,N-dimethylmethanamine;2,4,5-trifluorobenzaldehyde.

Molecular Properties

Compound NameN,N-dimethylmethanamine;2,4,5-trifluorobenzaldehyde
PubChem CID143152028
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC NameN,N-dimethylmethanamine;2,4,5-trifluorobenzaldehyde
SMILESCN(C)C.O=Cc1cc(F)c(F)cc1F
InChIInChI=1S/C7H3F3O.C3H9N/c8-5-2-7(10)6(9)1-4(5)3-11;1-4(2)3/h1-3H;1-3H3
InChIKeyUYWQIBRJXKYNJC-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4,6-difluorobenzene-1,3-dicarbaldehyde
CID 11030259
2,4-difluoro-5-phosphanylbenzaldehyde
CID 169189321
5-chloro-2,4-difluorobenzaldehyde
CID 34174561
4-(dimethylamino)-5-ethenyl-2-fluorobenzaldehyde
CID 145002079
6-fluoro-1,3-benzodioxole-5-carbaldehyde
CID 14384443
2,4-difluoro-5-formylbenzoic acid
CID 53405251
2-(difluoromethyl)-5-fluoroterephthalaldehyde
CID 171027914
CID 123988407
CID 123988407
4-bromo-5-ethyl-2-fluorobenzaldehyde
CID 139490493
1-bromo-2,5-difluoro-4-methylbenzene;2,5-difluoro-4-methylbenzaldehyde
CID 160964271
2-fluoro-5-(2,4,5-trifluorophenyl)benzaldehyde
CID 115503115
ethane;2-fluoro-5-methylbenzaldehyde
CID 144639073

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;2,4,5-trifluorobenzaldehyde?
The IUPAC name of N,N-dimethylmethanamine;2,4,5-trifluorobenzaldehyde (CID 143152028) is N,N-dimethylmethanamine;2,4,5-trifluorobenzaldehyde.
What is the SMILES notation for N,N-dimethylmethanamine;2,4,5-trifluorobenzaldehyde?
The canonical SMILES for N,N-dimethylmethanamine;2,4,5-trifluorobenzaldehyde is CN(C)C.O=Cc1cc(F)c(F)cc1F.
What is the InChIKey of N,N-dimethylmethanamine;2,4,5-trifluorobenzaldehyde?
The InChIKey is UYWQIBRJXKYNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3O.C3H9N/c8-5-2-7(10)6(9)1-4(5)3-11;1-4(2)3/h1-3H;1-3H3.
What are the key properties of N,N-dimethylmethanamine;2,4,5-trifluorobenzaldehyde?
N,N-dimethylmethanamine;2,4,5-trifluorobenzaldehyde has a molecular weight of 219.21 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;2,4,5-trifluorobenzaldehyde is sourced from PubChem (CID 143152028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).