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

C7H14F3NO — CID 82711441

IUPACN-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCCCCCNOCC(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-2-3-4-5-11-12-6-7(8,9)10/h11H,2-6H2,1H3
InChIKeyMTYRDMWOWGAYQD-UHFFFAOYSA-N
MW185.19 g/mol
LogP2.26
Rot. Bonds6

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

N-(2,2,2-trifluoroethoxy)pentan-1-amine (PubChem CID 82711441) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethoxy)pentan-1-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethoxy)pentan-1-amine
PubChem CID82711441
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC NameN-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCCCCCNOCC(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-2-3-4-5-11-12-6-7(8,9)10/h11H,2-6H2,1H3
InChIKeyMTYRDMWOWGAYQD-UHFFFAOYSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 52.26
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'}

Analyze N-(2,2,2-trifluoroethoxy)pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,2,2-trifluoroethoxy)dodecan-1-amine
CID 82721644
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-[2-(pentylamino)oxyethoxy]pentan-1-amine
CID 87873811
N-butyl-2-(2,2,2-trifluoroethoxyamino)acetamide
CID 82722976
N-butoxydecan-1-amine
CID 154317996
N-pentyl-2-(2,2,2-trifluoroethoxyamino)propanamide
CID 82722236
CID 174727700
CID 174727700
2-methyl-4-(2,2,2-trifluoroethoxyamino)butan-2-ol
CID 82721379
2-methylsulfonyl-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82721276
N-(octadecylamino)oxyoctadecan-1-amine
CID 57437992
N-(tetracosylamino)oxytetracosan-1-amine
CID 134207792

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethoxy)pentan-1-amine?
The IUPAC name of N-(2,2,2-trifluoroethoxy)pentan-1-amine (CID 82711441) is N-(2,2,2-trifluoroethoxy)pentan-1-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethoxy)pentan-1-amine?
The canonical SMILES for N-(2,2,2-trifluoroethoxy)pentan-1-amine is CCCCCNOCC(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoroethoxy)pentan-1-amine?
The InChIKey is MTYRDMWOWGAYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO/c1-2-3-4-5-11-12-6-7(8,9)10/h11H,2-6H2,1H3.
What are the key properties of N-(2,2,2-trifluoroethoxy)pentan-1-amine?
N-(2,2,2-trifluoroethoxy)pentan-1-amine has a molecular weight of 185.19 g/mol, XLogP of 2.26, 6 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)pentan-1-amine is sourced from PubChem (CID 82711441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).