(1E,5S)-4-methyl-5-(trifluoromethyl)cycloocten-1-amine

C10H16F3N — CID 126592411

IUPAC(1E,5S)-4-methyl-5-(trifluoromethyl)cycloocten-1-amine
SMILESCC1C/C=C(/N)CCC[C@@H]1C(F)(F)F
InChIInChI=1S/C10H16F3N/c1-7-5-6-8(14)3-2-4-9(7)10(11,12)13/h6-7,9H,2-5,14H2,1H3/b8-6+/t7?,9-/m0/s1
InChIKeySZKSBCJDDVVRBO-OHVLTDBXSA-N
MW207.24 g/mol
LogP3.22
Rot. Bonds

About (1E,5S)-4-methyl-5-(trifluoromethyl)cycloocten-1-amine

(1E,5S)-4-methyl-5-(trifluoromethyl)cycloocten-1-amine (PubChem CID 126592411) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is (1E,5S)-4-methyl-5-(trifluoromethyl)cycloocten-1-amine.

Molecular Properties

Compound Name(1E,5S)-4-methyl-5-(trifluoromethyl)cycloocten-1-amine
PubChem CID126592411
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name(1E,5S)-4-methyl-5-(trifluoromethyl)cycloocten-1-amine
SMILESCC1C/C=C(/N)CCC[C@@H]1C(F)(F)F
InChIInChI=1S/C10H16F3N/c1-7-5-6-8(14)3-2-4-9(7)10(11,12)13/h6-7,9H,2-5,14H2,1H3/b8-6+/t7?,9-/m0/s1
InChIKeySZKSBCJDDVVRBO-OHVLTDBXSA-N
XLogP3.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1E,5S)-4-methyl-5-(trifluoromethyl)cycloocten-1-amine?
The IUPAC name of (1E,5S)-4-methyl-5-(trifluoromethyl)cycloocten-1-amine (CID 126592411) is (1E,5S)-4-methyl-5-(trifluoromethyl)cycloocten-1-amine.
What is the SMILES notation for (1E,5S)-4-methyl-5-(trifluoromethyl)cycloocten-1-amine?
The canonical SMILES for (1E,5S)-4-methyl-5-(trifluoromethyl)cycloocten-1-amine is CC1C/C=C(/N)CCC[C@@H]1C(F)(F)F.
What is the InChIKey of (1E,5S)-4-methyl-5-(trifluoromethyl)cycloocten-1-amine?
The InChIKey is SZKSBCJDDVVRBO-OHVLTDBXSA-N. The full InChI is InChI=1S/C10H16F3N/c1-7-5-6-8(14)3-2-4-9(7)10(11,12)13/h6-7,9H,2-5,14H2,1H3/b8-6+/t7?,9-/m0/s1.
What are the key properties of (1E,5S)-4-methyl-5-(trifluoromethyl)cycloocten-1-amine?
(1E,5S)-4-methyl-5-(trifluoromethyl)cycloocten-1-amine has a molecular weight of 207.24 g/mol, XLogP of 3.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,5S)-4-methyl-5-(trifluoromethyl)cycloocten-1-amine is sourced from PubChem (CID 126592411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).