N-[(E)-1,1,1-trifluorodec-2-en-4-yl]cyclohexanamine

C16H28F3N — CID 11033637

IUPACN-[(E)-1,1,1-trifluorodec-2-en-4-yl]cyclohexanamine
SMILESCCCCCCC(/C=C/C(F)(F)F)NC1CCCCC1
InChIInChI=1S/C16H28F3N/c1-2-3-4-6-11-15(12-13-16(17,18)19)20-14-9-7-5-8-10-14/h12-15,20H,2-11H2,1H3/b13-12+
InChIKeyULKIKLWVYNMFBW-OUKQBFOZSA-N
MW291.40 g/mol
LogP5.37
Rot. Bonds8

About N-[(E)-1,1,1-trifluorodec-2-en-4-yl]cyclohexanamine

N-[(E)-1,1,1-trifluorodec-2-en-4-yl]cyclohexanamine (PubChem CID 11033637) has the molecular formula C16H28F3N and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[(E)-1,1,1-trifluorodec-2-en-4-yl]cyclohexanamine.

Molecular Properties

Compound NameN-[(E)-1,1,1-trifluorodec-2-en-4-yl]cyclohexanamine
PubChem CID11033637
Molecular FormulaC16H28F3N
Molecular Weight291.40 g/mol
Exact Mass291.22
IUPAC NameN-[(E)-1,1,1-trifluorodec-2-en-4-yl]cyclohexanamine
SMILESCCCCCCC(/C=C/C(F)(F)F)NC1CCCCC1
InChIInChI=1S/C16H28F3N/c1-2-3-4-6-11-15(12-13-16(17,18)19)20-14-9-7-5-8-10-14/h12-15,20H,2-11H2,1H3/b13-12+
InChIKeyULKIKLWVYNMFBW-OUKQBFOZSA-N
XLogP5.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.40
LogP ≤ 55.37
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

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CID 357837
trans-2-Allyl-6-hexyl-1,2,3,6-tetrahydropyridine
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cis-2-Allyl-6-hexyl-1,2,3,6-tetrahydropyridine
CID 21606415
N-[(2Z)-2-fluorotrideca-2,12-dienyl]cyclohexanamine
CID 51051476
N-methyl-3-(trifluoromethyl)cyclohex-2-en-1-amine
CID 89073810
4-fluoro-N-heptan-3-ylhept-2-en-1-amine
CID 123305580
N-[(3Z,5E)-8,8,8-trifluoro-3-[(Z)-prop-1-enyl]octa-3,5-dienyl]cyclohexanamine
CID 126728484
(E)-7,7-difluoro-2-methylidene-N-propan-2-yloct-5-en-1-amine
CID 145011962
cyclohexa-1,3-diene;N-ethyl-2,2-difluorocyclohexan-1-amine
CID 156803366
cyclohexa-1,3-diene;2,2-difluoro-N-methylcyclohexan-1-amine
CID 156803418
2-[(2E,4E)-4-(1,1-difluoroethyl)hexa-2,4-dien-3-yl]pyrrolidine;ethane;ethene
CID 166157712
(2R,5Z,7R)-2,7-dimethyl-5-[7-methylidene-4-(trifluoromethyl)-6,8-dihydrobenzo[7]annulen-5-yl]-1,2,3,4,7,8-hexahydroazocine
CID 169680083

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1,1,1-trifluorodec-2-en-4-yl]cyclohexanamine?
The IUPAC name of N-[(E)-1,1,1-trifluorodec-2-en-4-yl]cyclohexanamine (CID 11033637) is N-[(E)-1,1,1-trifluorodec-2-en-4-yl]cyclohexanamine.
What is the SMILES notation for N-[(E)-1,1,1-trifluorodec-2-en-4-yl]cyclohexanamine?
The canonical SMILES for N-[(E)-1,1,1-trifluorodec-2-en-4-yl]cyclohexanamine is CCCCCCC(/C=C/C(F)(F)F)NC1CCCCC1.
What is the InChIKey of N-[(E)-1,1,1-trifluorodec-2-en-4-yl]cyclohexanamine?
The InChIKey is ULKIKLWVYNMFBW-OUKQBFOZSA-N. The full InChI is InChI=1S/C16H28F3N/c1-2-3-4-6-11-15(12-13-16(17,18)19)20-14-9-7-5-8-10-14/h12-15,20H,2-11H2,1H3/b13-12+.
What are the key properties of N-[(E)-1,1,1-trifluorodec-2-en-4-yl]cyclohexanamine?
N-[(E)-1,1,1-trifluorodec-2-en-4-yl]cyclohexanamine has a molecular weight of 291.40 g/mol, XLogP of 5.37, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1,1,1-trifluorodec-2-en-4-yl]cyclohexanamine is sourced from PubChem (CID 11033637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).