(3Z,5Z)-4,7-difluoro-N-methylocta-3,5-dien-3-amine

C9H15F2N — CID 134365775

IUPAC(3Z,5Z)-4,7-difluoro-N-methylocta-3,5-dien-3-amine
SMILESCC/C(NC)=C(F)\C=C/C(C)F
InChIInChI=1S/C9H15F2N/c1-4-9(12-3)8(11)6-5-7(2)10/h5-7,12H,4H2,1-3H3/b6-5-,9-8-
InChIKeyLNUIFMYZFDCGAM-AFJQJTPPSA-N
MW175.22 g/mol
LogP2.71
Rot. Bonds4

About (3Z,5Z)-4,7-difluoro-N-methylocta-3,5-dien-3-amine

(3Z,5Z)-4,7-difluoro-N-methylocta-3,5-dien-3-amine (PubChem CID 134365775) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is (3Z,5Z)-4,7-difluoro-N-methylocta-3,5-dien-3-amine.

Molecular Properties

Compound Name(3Z,5Z)-4,7-difluoro-N-methylocta-3,5-dien-3-amine
PubChem CID134365775
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name(3Z,5Z)-4,7-difluoro-N-methylocta-3,5-dien-3-amine
SMILESCC/C(NC)=C(F)\C=C/C(C)F
InChIInChI=1S/C9H15F2N/c1-4-9(12-3)8(11)6-5-7(2)10/h5-7,12H,4H2,1-3H3/b6-5-,9-8-
InChIKeyLNUIFMYZFDCGAM-AFJQJTPPSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-4,7-difluoro-N-methylocta-3,5-dien-3-amine?
The IUPAC name of (3Z,5Z)-4,7-difluoro-N-methylocta-3,5-dien-3-amine (CID 134365775) is (3Z,5Z)-4,7-difluoro-N-methylocta-3,5-dien-3-amine.
What is the SMILES notation for (3Z,5Z)-4,7-difluoro-N-methylocta-3,5-dien-3-amine?
The canonical SMILES for (3Z,5Z)-4,7-difluoro-N-methylocta-3,5-dien-3-amine is CC/C(NC)=C(F)\C=C/C(C)F.
What is the InChIKey of (3Z,5Z)-4,7-difluoro-N-methylocta-3,5-dien-3-amine?
The InChIKey is LNUIFMYZFDCGAM-AFJQJTPPSA-N. The full InChI is InChI=1S/C9H15F2N/c1-4-9(12-3)8(11)6-5-7(2)10/h5-7,12H,4H2,1-3H3/b6-5-,9-8-.
What are the key properties of (3Z,5Z)-4,7-difluoro-N-methylocta-3,5-dien-3-amine?
(3Z,5Z)-4,7-difluoro-N-methylocta-3,5-dien-3-amine has a molecular weight of 175.22 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-4,7-difluoro-N-methylocta-3,5-dien-3-amine is sourced from PubChem (CID 134365775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).