1,1,1-trifluoro-N-propylhex-5-en-2-amine

C9H16F3N — CID 104987594

IUPAC1,1,1-trifluoro-N-propylhex-5-en-2-amine
SMILESC=CCCC(NCCC)C(F)(F)F
InChIInChI=1S/C9H16F3N/c1-3-5-6-8(9(10,11)12)13-7-4-2/h3,8,13H,1,4-7H2,2H3
InChIKeyJIRQVFXHEBNGTN-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.88
Rot. Bonds6

About 1,1,1-trifluoro-N-propylhex-5-en-2-amine

1,1,1-trifluoro-N-propylhex-5-en-2-amine (PubChem CID 104987594) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-propylhex-5-en-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-propylhex-5-en-2-amine
PubChem CID104987594
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name1,1,1-trifluoro-N-propylhex-5-en-2-amine
SMILESC=CCCC(NCCC)C(F)(F)F
InChIInChI=1S/C9H16F3N/c1-3-5-6-8(9(10,11)12)13-7-4-2/h3,8,13H,1,4-7H2,2H3
InChIKeyJIRQVFXHEBNGTN-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 1,1,1-trifluoro-N-propylhex-5-en-2-amine?
The IUPAC name of 1,1,1-trifluoro-N-propylhex-5-en-2-amine (CID 104987594) is 1,1,1-trifluoro-N-propylhex-5-en-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-N-propylhex-5-en-2-amine?
The canonical SMILES for 1,1,1-trifluoro-N-propylhex-5-en-2-amine is C=CCCC(NCCC)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-propylhex-5-en-2-amine?
The InChIKey is JIRQVFXHEBNGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c1-3-5-6-8(9(10,11)12)13-7-4-2/h3,8,13H,1,4-7H2,2H3.
What are the key properties of 1,1,1-trifluoro-N-propylhex-5-en-2-amine?
1,1,1-trifluoro-N-propylhex-5-en-2-amine has a molecular weight of 195.23 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-propylhex-5-en-2-amine is sourced from PubChem (CID 104987594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).