1,1,1-trifluorotetradecan-4-amine

C14H28F3N — CID 79954086

IUPAC1,1,1-trifluorotetradecan-4-amine
SMILESCCCCCCCCCCC(N)CCC(F)(F)F
InChIInChI=1S/C14H28F3N/c1-2-3-4-5-6-7-8-9-10-13(18)11-12-14(15,16)17/h13H,2-12,18H2,1H3
InChIKeyBEUFSPDHHSFQIQ-UHFFFAOYSA-N
MW267.38 g/mol
LogP5.19
Rot. Bonds11

About 1,1,1-trifluorotetradecan-4-amine

1,1,1-trifluorotetradecan-4-amine (PubChem CID 79954086) has the molecular formula C14H28F3N and a molecular weight of 267.38 g/mol. Its IUPAC name is 1,1,1-trifluorotetradecan-4-amine.

Molecular Properties

Compound Name1,1,1-trifluorotetradecan-4-amine
PubChem CID79954086
Molecular FormulaC14H28F3N
Molecular Weight267.38 g/mol
Exact Mass267.22
IUPAC Name1,1,1-trifluorotetradecan-4-amine
SMILESCCCCCCCCCCC(N)CCC(F)(F)F
InChIInChI=1S/C14H28F3N/c1-2-3-4-5-6-7-8-9-10-13(18)11-12-14(15,16)17/h13H,2-12,18H2,1H3
InChIKeyBEUFSPDHHSFQIQ-UHFFFAOYSA-N
XLogP5.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.38
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1-trifluorotetradecan-4-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

(4R)-1,1,1-trifluoroheptan-4-amine
CID 104932458
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
henicosane-8,14-diamine;dihydrochloride
CID 170909168
octadecan-9-amine;hydrochloride
CID 19002510
1,1,1,7,7,7-hexafluoroheptan-4-amine
CID 79954768
7-(3,3,3-trifluoropropyl)tridecane
CID 126695367
(4R)-tridecan-4-amine
CID 150614684
15,15-dimethylnonacosan-10-amine
CID 175397632
1,1,1-trifluoro-4-methyldecane
CID 147899191
icosane-5,10,16-triamine
CID 88870264
1,1,1-trifluoro-2-(trifluoromethyl)dodecan-3-amine
CID 103311798

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluorotetradecan-4-amine?
The IUPAC name of 1,1,1-trifluorotetradecan-4-amine (CID 79954086) is 1,1,1-trifluorotetradecan-4-amine.
What is the SMILES notation for 1,1,1-trifluorotetradecan-4-amine?
The canonical SMILES for 1,1,1-trifluorotetradecan-4-amine is CCCCCCCCCCC(N)CCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluorotetradecan-4-amine?
The InChIKey is BEUFSPDHHSFQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3N/c1-2-3-4-5-6-7-8-9-10-13(18)11-12-14(15,16)17/h13H,2-12,18H2,1H3.
What are the key properties of 1,1,1-trifluorotetradecan-4-amine?
1,1,1-trifluorotetradecan-4-amine has a molecular weight of 267.38 g/mol, XLogP of 5.19, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluorotetradecan-4-amine is sourced from PubChem (CID 79954086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).