N-(4,4,4-trifluorobutyl)hex-5-en-2-amine

C10H18F3N — CID 104582860

IUPACN-(4,4,4-trifluorobutyl)hex-5-en-2-amine
SMILESC=CCCC(C)NCCCC(F)(F)F
InChIInChI=1S/C10H18F3N/c1-3-4-6-9(2)14-8-5-7-10(11,12)13/h3,9,14H,1,4-8H2,2H3
InChIKeyFIDIFKYDVUPRGL-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.27
Rot. Bonds7

About N-(4,4,4-trifluorobutyl)hex-5-en-2-amine

N-(4,4,4-trifluorobutyl)hex-5-en-2-amine (PubChem CID 104582860) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is N-(4,4,4-trifluorobutyl)hex-5-en-2-amine.

Molecular Properties

Compound NameN-(4,4,4-trifluorobutyl)hex-5-en-2-amine
PubChem CID104582860
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC NameN-(4,4,4-trifluorobutyl)hex-5-en-2-amine
SMILESC=CCCC(C)NCCCC(F)(F)F
InChIInChI=1S/C10H18F3N/c1-3-4-6-9(2)14-8-5-7-10(11,12)13/h3,9,14H,1,4-8H2,2H3
InChIKeyFIDIFKYDVUPRGL-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Allyl-(1-methyl-pent-4-enyl)-amine
CID 11788335
2-Propylamino-5-hexene
CID 12541939
(E)-1,1,1-trifluoro-N,8-dimethylnon-5-en-2-amine
CID 88588160
(Z)-1,1,1-trifluoro-N,8-dimethylnon-5-en-2-amine
CID 88588161
(E)-N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-methylhept-5-en-2-amine
CID 121451126
(E)-7,7,7-trifluoro-N,6-dimethylhept-5-en-2-amine
CID 121451131
N-(2,2-difluoroethyl)-6-methylhept-5-en-2-amine
CID 121451140
(Z)-7,7,7-trifluoro-N,6-dimethylhept-5-en-2-amine
CID 121451142
(Z)-N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-methylhept-5-en-2-amine
CID 121451144
6-methyl-N-(2,2,2-trifluoroethyl)hept-5-en-2-amine
CID 121451147
1,1,1-trifluoro-N-methyloct-5-en-2-amine
CID 123342851
(E)-1,1,1-trifluoro-8-methyl-N-propan-2-ylnon-5-en-2-amine
CID 132061406

Frequently Asked Questions

What is the IUPAC name of N-(4,4,4-trifluorobutyl)hex-5-en-2-amine?
The IUPAC name of N-(4,4,4-trifluorobutyl)hex-5-en-2-amine (CID 104582860) is N-(4,4,4-trifluorobutyl)hex-5-en-2-amine.
What is the SMILES notation for N-(4,4,4-trifluorobutyl)hex-5-en-2-amine?
The canonical SMILES for N-(4,4,4-trifluorobutyl)hex-5-en-2-amine is C=CCCC(C)NCCCC(F)(F)F.
What is the InChIKey of N-(4,4,4-trifluorobutyl)hex-5-en-2-amine?
The InChIKey is FIDIFKYDVUPRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N/c1-3-4-6-9(2)14-8-5-7-10(11,12)13/h3,9,14H,1,4-8H2,2H3.
What are the key properties of N-(4,4,4-trifluorobutyl)hex-5-en-2-amine?
N-(4,4,4-trifluorobutyl)hex-5-en-2-amine has a molecular weight of 209.25 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,4-trifluorobutyl)hex-5-en-2-amine is sourced from PubChem (CID 104582860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).