(E)-N-[(Z)-4,4-difluoro-5-methylhex-2-en-2-yl]-4,4-difluoro-3,6,7-trimethyloct-5-en-1-amine

C18H31F4N — CID 155082561

IUPAC(E)-N-[(Z)-4,4-difluoro-5-methylhex-2-en-2-yl]-4,4-difluoro-3,6,7-trimethyloct-5-en-1-amine
SMILESC/C(=C/C(F)(F)C(C)C)NCCC(C)C(F)(F)/C=C(\C)C(C)C
InChIInChI=1S/C18H31F4N/c1-12(2)14(5)10-18(21,22)15(6)8-9-23-16(7)11-17(19,20)13(3)4/h10-13,15,23H,8-9H2,1-7H3/b14-10+,16-11-
InChIKeyBKFPAMZXKGVYIF-DECHVDIESA-N
MW337.45 g/mol
LogP6.03
Rot. Bonds9

About (E)-N-[(Z)-4,4-difluoro-5-methylhex-2-en-2-yl]-4,4-difluoro-3,6,7-trimethyloct-5-en-1-amine

(E)-N-[(Z)-4,4-difluoro-5-methylhex-2-en-2-yl]-4,4-difluoro-3,6,7-trimethyloct-5-en-1-amine (PubChem CID 155082561) has the molecular formula C18H31F4N and a molecular weight of 337.45 g/mol. Its IUPAC name is (E)-N-[(Z)-4,4-difluoro-5-methylhex-2-en-2-yl]-4,4-difluoro-3,6,7-trimethyloct-5-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(Z)-4,4-difluoro-5-methylhex-2-en-2-yl]-4,4-difluoro-3,6,7-trimethyloct-5-en-1-amine
PubChem CID155082561
Molecular FormulaC18H31F4N
Molecular Weight337.45 g/mol
Exact Mass337.24
IUPAC Name(E)-N-[(Z)-4,4-difluoro-5-methylhex-2-en-2-yl]-4,4-difluoro-3,6,7-trimethyloct-5-en-1-amine
SMILESC/C(=C/C(F)(F)C(C)C)NCCC(C)C(F)(F)/C=C(\C)C(C)C
InChIInChI=1S/C18H31F4N/c1-12(2)14(5)10-18(21,22)15(6)8-9-23-16(7)11-17(19,20)13(3)4/h10-13,15,23H,8-9H2,1-7H3/b14-10+,16-11-
InChIKeyBKFPAMZXKGVYIF-DECHVDIESA-N
XLogP6.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.45
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(Z)-4,4-difluoro-5-methylhex-2-en-2-yl]-4,4-difluoro-3,6,7-trimethyloct-5-en-1-amine?
The IUPAC name of (E)-N-[(Z)-4,4-difluoro-5-methylhex-2-en-2-yl]-4,4-difluoro-3,6,7-trimethyloct-5-en-1-amine (CID 155082561) is (E)-N-[(Z)-4,4-difluoro-5-methylhex-2-en-2-yl]-4,4-difluoro-3,6,7-trimethyloct-5-en-1-amine.
What is the SMILES notation for (E)-N-[(Z)-4,4-difluoro-5-methylhex-2-en-2-yl]-4,4-difluoro-3,6,7-trimethyloct-5-en-1-amine?
The canonical SMILES for (E)-N-[(Z)-4,4-difluoro-5-methylhex-2-en-2-yl]-4,4-difluoro-3,6,7-trimethyloct-5-en-1-amine is C/C(=C/C(F)(F)C(C)C)NCCC(C)C(F)(F)/C=C(\C)C(C)C.
What is the InChIKey of (E)-N-[(Z)-4,4-difluoro-5-methylhex-2-en-2-yl]-4,4-difluoro-3,6,7-trimethyloct-5-en-1-amine?
The InChIKey is BKFPAMZXKGVYIF-DECHVDIESA-N. The full InChI is InChI=1S/C18H31F4N/c1-12(2)14(5)10-18(21,22)15(6)8-9-23-16(7)11-17(19,20)13(3)4/h10-13,15,23H,8-9H2,1-7H3/b14-10+,16-11-.
What are the key properties of (E)-N-[(Z)-4,4-difluoro-5-methylhex-2-en-2-yl]-4,4-difluoro-3,6,7-trimethyloct-5-en-1-amine?
(E)-N-[(Z)-4,4-difluoro-5-methylhex-2-en-2-yl]-4,4-difluoro-3,6,7-trimethyloct-5-en-1-amine has a molecular weight of 337.45 g/mol, XLogP of 6.03, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(Z)-4,4-difluoro-5-methylhex-2-en-2-yl]-4,4-difluoro-3,6,7-trimethyloct-5-en-1-amine is sourced from PubChem (CID 155082561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).