(2Z,5Z)-N-[3,5-bis(trifluoromethyl)phenyl]cycloocta-2,5-dien-1-amine

C16H15F6N — CID 132500495

IUPAC(2Z,5Z)-N-[3,5-bis(trifluoromethyl)phenyl]cycloocta-2,5-dien-1-amine
SMILESFC(F)(F)c1cc(NC2/C=C\C/C=C\CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C16H15F6N/c17-15(18,19)11-8-12(16(20,21)22)10-14(9-11)23-13-6-4-2-1-3-5-7-13/h1-2,5,7-10,13,23H,3-4,6H2/b2-1-,7-5-
InChIKeyQURNGAUTPZLDDC-PQZOIKATSA-N
MW335.29 g/mol
LogP5.80
Rot. Bonds2

About (2Z,5Z)-N-[3,5-bis(trifluoromethyl)phenyl]cycloocta-2,5-dien-1-amine

(2Z,5Z)-N-[3,5-bis(trifluoromethyl)phenyl]cycloocta-2,5-dien-1-amine (PubChem CID 132500495) has the molecular formula C16H15F6N and a molecular weight of 335.29 g/mol. Its IUPAC name is (2Z,5Z)-N-[3,5-bis(trifluoromethyl)phenyl]cycloocta-2,5-dien-1-amine.

Molecular Properties

Compound Name(2Z,5Z)-N-[3,5-bis(trifluoromethyl)phenyl]cycloocta-2,5-dien-1-amine
PubChem CID132500495
Molecular FormulaC16H15F6N
Molecular Weight335.29 g/mol
Exact Mass335.11
IUPAC Name(2Z,5Z)-N-[3,5-bis(trifluoromethyl)phenyl]cycloocta-2,5-dien-1-amine
SMILESFC(F)(F)c1cc(NC2/C=C\C/C=C\CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C16H15F6N/c17-15(18,19)11-8-12(16(20,21)22)10-14(9-11)23-13-6-4-2-1-3-5-7-13/h1-2,5,7-10,13,23H,3-4,6H2/b2-1-,7-5-
InChIKeyQURNGAUTPZLDDC-PQZOIKATSA-N
XLogP5.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.29
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-N-[3,5-bis(trifluoromethyl)phenyl]cyclooct-2-en-1-amine
CID 132500493
3-bromo-N-cyclohex-2-en-1-yl-5-(trifluoromethyl)aniline
CID 107907161
N-cyclopropyl-3,5-bis(trifluoromethyl)aniline
CID 86655697
4-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1,4-diamine
CID 116699040
3-bromo-N-cyclohexyl-5-(trifluoromethyl)aniline
CID 65491603
4-bromo-N-cyclohex-2-en-1-yl-3-(trifluoromethyl)aniline
CID 107907073
2-[3-bromo-5-(trifluoromethyl)anilino]cyclopentan-1-ol
CID 65491811
3-bromo-N-(4-ethylcyclohexyl)-5-(trifluoromethyl)aniline
CID 65491009
3-[3,5-bis(trifluoromethyl)anilino]-1,2-dihydropyrrol-5-one
CID 139933599
N-[3-chloro-5-(trifluoromethyl)phenyl]-4-methylcycloheptan-1-amine
CID 116698915
N-[3-(trifluoromethyl)phenyl]bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 2856990
3-bromo-N-(2,2-dimethylcyclohexyl)-5-(trifluoromethyl)aniline
CID 79835004

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-N-[3,5-bis(trifluoromethyl)phenyl]cycloocta-2,5-dien-1-amine?
The IUPAC name of (2Z,5Z)-N-[3,5-bis(trifluoromethyl)phenyl]cycloocta-2,5-dien-1-amine (CID 132500495) is (2Z,5Z)-N-[3,5-bis(trifluoromethyl)phenyl]cycloocta-2,5-dien-1-amine.
What is the SMILES notation for (2Z,5Z)-N-[3,5-bis(trifluoromethyl)phenyl]cycloocta-2,5-dien-1-amine?
The canonical SMILES for (2Z,5Z)-N-[3,5-bis(trifluoromethyl)phenyl]cycloocta-2,5-dien-1-amine is FC(F)(F)c1cc(NC2/C=C\C/C=C\CC2)cc(C(F)(F)F)c1.
What is the InChIKey of (2Z,5Z)-N-[3,5-bis(trifluoromethyl)phenyl]cycloocta-2,5-dien-1-amine?
The InChIKey is QURNGAUTPZLDDC-PQZOIKATSA-N. The full InChI is InChI=1S/C16H15F6N/c17-15(18,19)11-8-12(16(20,21)22)10-14(9-11)23-13-6-4-2-1-3-5-7-13/h1-2,5,7-10,13,23H,3-4,6H2/b2-1-,7-5-.
What are the key properties of (2Z,5Z)-N-[3,5-bis(trifluoromethyl)phenyl]cycloocta-2,5-dien-1-amine?
(2Z,5Z)-N-[3,5-bis(trifluoromethyl)phenyl]cycloocta-2,5-dien-1-amine has a molecular weight of 335.29 g/mol, XLogP of 5.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-N-[3,5-bis(trifluoromethyl)phenyl]cycloocta-2,5-dien-1-amine is sourced from PubChem (CID 132500495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).