(E)-1,1,1-trifluoro-N-iodooct-5-en-2-amine

C8H13F3IN — CID 88909552

IUPAC(E)-1,1,1-trifluoro-N-iodooct-5-en-2-amine
SMILESCC/C=C/CCC(NI)C(F)(F)F
InChIInChI=1S/C8H13F3IN/c1-2-3-4-5-6-7(13-12)8(9,10)11/h3-4,7,13H,2,5-6H2,1H3/b4-3+
InChIKeyPDOJEZVECCQARI-ONEGZZNKSA-N
MW307.10 g/mol
LogP3.60
Rot. Bonds5

About (E)-1,1,1-trifluoro-N-iodooct-5-en-2-amine

(E)-1,1,1-trifluoro-N-iodooct-5-en-2-amine (PubChem CID 88909552) has the molecular formula C8H13F3IN and a molecular weight of 307.10 g/mol. Its IUPAC name is (E)-1,1,1-trifluoro-N-iodooct-5-en-2-amine.

Molecular Properties

Compound Name(E)-1,1,1-trifluoro-N-iodooct-5-en-2-amine
PubChem CID88909552
Molecular FormulaC8H13F3IN
Molecular Weight307.10 g/mol
Exact Mass307.00
IUPAC Name(E)-1,1,1-trifluoro-N-iodooct-5-en-2-amine
SMILESCC/C=C/CCC(NI)C(F)(F)F
InChIInChI=1S/C8H13F3IN/c1-2-3-4-5-6-7(13-12)8(9,10)11/h3-4,7,13H,2,5-6H2,1H3/b4-3+
InChIKeyPDOJEZVECCQARI-ONEGZZNKSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.10
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

8,8,8-trifluoro-7-(trifluoromethyl)oct-3-ene
CID 123611335
7,7-difluorohept-3-ene
CID 54444112
1,1,1-trifluorodocosa-13,16,19-trien-2-ol
CID 123994448
(3Z,7Z,11Z)-tetradeca-3,7,11-triene
CID 123167975
(7Z)-deca-3,7-diene
CID 173009236
7,7,7-trifluoro-6-methylhept-3-ene
CID 57248627
(E)-7,8-dimethyldec-3-ene
CID 164805816
(Z)-hex-3-ene;methylazanium
CID 158917607
1,1,1-trifluoro-8-methylnon-4-ene
CID 123891498
(3E,8E,15E,20E)-12-propan-2-yltricosa-3,8,15,20-tetraene
CID 177270175
(Z)-1,1,1-trifluorohept-4-en-2-amine
CID 55283427
3-methylnon-6-en-1-amine
CID 54538650

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1-trifluoro-N-iodooct-5-en-2-amine?
The IUPAC name of (E)-1,1,1-trifluoro-N-iodooct-5-en-2-amine (CID 88909552) is (E)-1,1,1-trifluoro-N-iodooct-5-en-2-amine.
What is the SMILES notation for (E)-1,1,1-trifluoro-N-iodooct-5-en-2-amine?
The canonical SMILES for (E)-1,1,1-trifluoro-N-iodooct-5-en-2-amine is CC/C=C/CCC(NI)C(F)(F)F.
What is the InChIKey of (E)-1,1,1-trifluoro-N-iodooct-5-en-2-amine?
The InChIKey is PDOJEZVECCQARI-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H13F3IN/c1-2-3-4-5-6-7(13-12)8(9,10)11/h3-4,7,13H,2,5-6H2,1H3/b4-3+.
What are the key properties of (E)-1,1,1-trifluoro-N-iodooct-5-en-2-amine?
(E)-1,1,1-trifluoro-N-iodooct-5-en-2-amine has a molecular weight of 307.10 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1-trifluoro-N-iodooct-5-en-2-amine is sourced from PubChem (CID 88909552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).