N-(2,2,2-trifluoroethoxy)dodecan-1-amine

C14H28F3NO — CID 82721644

IUPACN-(2,2,2-trifluoroethoxy)dodecan-1-amine
SMILESCCCCCCCCCCCCNOCC(F)(F)F
InChIInChI=1S/C14H28F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-18-19-13-14(15,16)17/h18H,2-13H2,1H3
InChIKeyPQWXSENSGJGMMX-UHFFFAOYSA-N
MW283.38 g/mol
LogP4.99
Rot. Bonds13

About N-(2,2,2-trifluoroethoxy)dodecan-1-amine

N-(2,2,2-trifluoroethoxy)dodecan-1-amine (PubChem CID 82721644) has the molecular formula C14H28F3NO and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethoxy)dodecan-1-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethoxy)dodecan-1-amine
PubChem CID82721644
Molecular FormulaC14H28F3NO
Molecular Weight283.38 g/mol
Exact Mass283.21
IUPAC NameN-(2,2,2-trifluoroethoxy)dodecan-1-amine
SMILESCCCCCCCCCCCCNOCC(F)(F)F
InChIInChI=1S/C14H28F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-18-19-13-14(15,16)17/h18H,2-13H2,1H3
InChIKeyPQWXSENSGJGMMX-UHFFFAOYSA-N
XLogP4.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 82711441
4-methylsulfanyl-N-(2,2,2-trifluoroethoxy)butan-1-amine
CID 103088300
3-methylsulfanyl-N-(2,2,2-trifluoroethoxy)propan-1-amine
CID 82712078
N-butoxydecan-1-amine
CID 154317996
N-[2-(pentylamino)oxyethoxy]pentan-1-amine
CID 87873811
CID 174727700
CID 174727700
N-butyl-2-(2,2,2-trifluoroethoxyamino)acetamide
CID 82722976
N-(octadecylamino)oxyoctadecan-1-amine
CID 57437992
N-(tetracosylamino)oxytetracosan-1-amine
CID 134207792
N-pentyl-2-(2,2,2-trifluoroethoxyamino)propanamide
CID 82722236
N-methoxydodecan-1-amine
CID 14131600
N-methyl-1-(2,2,2-trifluoroethoxy)undecan-2-amine
CID 103214874

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethoxy)dodecan-1-amine?
The IUPAC name of N-(2,2,2-trifluoroethoxy)dodecan-1-amine (CID 82721644) is N-(2,2,2-trifluoroethoxy)dodecan-1-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethoxy)dodecan-1-amine?
The canonical SMILES for N-(2,2,2-trifluoroethoxy)dodecan-1-amine is CCCCCCCCCCCCNOCC(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoroethoxy)dodecan-1-amine?
The InChIKey is PQWXSENSGJGMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-18-19-13-14(15,16)17/h18H,2-13H2,1H3.
What are the key properties of N-(2,2,2-trifluoroethoxy)dodecan-1-amine?
N-(2,2,2-trifluoroethoxy)dodecan-1-amine has a molecular weight of 283.38 g/mol, XLogP of 4.99, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethoxy)dodecan-1-amine is sourced from PubChem (CID 82721644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).