(1E,3E)-4-(1,1-difluoroethyl)-6-methylcycloocta-1,3-dien-1-amine

C11H17F2N — CID 146245333

IUPAC(1E,3E)-4-(1,1-difluoroethyl)-6-methylcycloocta-1,3-dien-1-amine
SMILESCC1CC/C(N)=C\C=C(\C(C)(F)F)C1
InChIInChI=1S/C11H17F2N/c1-8-3-5-10(14)6-4-9(7-8)11(2,12)13/h4,6,8H,3,5,7,14H2,1-2H3/b9-4+,10-6+
InChIKeyZSICLEJFTWTLOO-IPHTWBMMSA-N
MW201.26 g/mol
LogP3.23
Rot. Bonds1

About (1E,3E)-4-(1,1-difluoroethyl)-6-methylcycloocta-1,3-dien-1-amine

(1E,3E)-4-(1,1-difluoroethyl)-6-methylcycloocta-1,3-dien-1-amine (PubChem CID 146245333) has the molecular formula C11H17F2N and a molecular weight of 201.26 g/mol. Its IUPAC name is (1E,3E)-4-(1,1-difluoroethyl)-6-methylcycloocta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3E)-4-(1,1-difluoroethyl)-6-methylcycloocta-1,3-dien-1-amine
PubChem CID146245333
Molecular FormulaC11H17F2N
Molecular Weight201.26 g/mol
Exact Mass201.13
IUPAC Name(1E,3E)-4-(1,1-difluoroethyl)-6-methylcycloocta-1,3-dien-1-amine
SMILESCC1CC/C(N)=C\C=C(\C(C)(F)F)C1
InChIInChI=1S/C11H17F2N/c1-8-3-5-10(14)6-4-9(7-8)11(2,12)13/h4,6,8H,3,5,7,14H2,1-2H3/b9-4+,10-6+
InChIKeyZSICLEJFTWTLOO-IPHTWBMMSA-N
XLogP3.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.26
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1E,3E)-4-(1,1-difluoroethyl)-6-methylcycloocta-1,3-dien-1-amine?
The IUPAC name of (1E,3E)-4-(1,1-difluoroethyl)-6-methylcycloocta-1,3-dien-1-amine (CID 146245333) is (1E,3E)-4-(1,1-difluoroethyl)-6-methylcycloocta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3E)-4-(1,1-difluoroethyl)-6-methylcycloocta-1,3-dien-1-amine?
The canonical SMILES for (1E,3E)-4-(1,1-difluoroethyl)-6-methylcycloocta-1,3-dien-1-amine is CC1CC/C(N)=C\C=C(\C(C)(F)F)C1.
What is the InChIKey of (1E,3E)-4-(1,1-difluoroethyl)-6-methylcycloocta-1,3-dien-1-amine?
The InChIKey is ZSICLEJFTWTLOO-IPHTWBMMSA-N. The full InChI is InChI=1S/C11H17F2N/c1-8-3-5-10(14)6-4-9(7-8)11(2,12)13/h4,6,8H,3,5,7,14H2,1-2H3/b9-4+,10-6+.
What are the key properties of (1E,3E)-4-(1,1-difluoroethyl)-6-methylcycloocta-1,3-dien-1-amine?
(1E,3E)-4-(1,1-difluoroethyl)-6-methylcycloocta-1,3-dien-1-amine has a molecular weight of 201.26 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-4-(1,1-difluoroethyl)-6-methylcycloocta-1,3-dien-1-amine is sourced from PubChem (CID 146245333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).