[6-[5-(trifluoromethyl)cyclohex-3-en-1-yl]cyclohexa-1,3-dien-1-yl]methanamine

C14H18F3N — CID 163710887

IUPAC[6-[5-(trifluoromethyl)cyclohex-3-en-1-yl]cyclohexa-1,3-dien-1-yl]methanamine
SMILESNCC1=CC=CCC1C1CC=CC(C(F)(F)F)C1
InChIInChI=1S/C14H18F3N/c15-14(16,17)12-6-3-5-10(8-12)13-7-2-1-4-11(13)9-18/h1-4,6,10,12-13H,5,7-9,18H2
InChIKeyKJCSFQDMQUVXNB-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.59
Rot. Bonds2

About [6-[5-(trifluoromethyl)cyclohex-3-en-1-yl]cyclohexa-1,3-dien-1-yl]methanamine

[6-[5-(trifluoromethyl)cyclohex-3-en-1-yl]cyclohexa-1,3-dien-1-yl]methanamine (PubChem CID 163710887) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is [6-[5-(trifluoromethyl)cyclohex-3-en-1-yl]cyclohexa-1,3-dien-1-yl]methanamine.

Molecular Properties

Compound Name[6-[5-(trifluoromethyl)cyclohex-3-en-1-yl]cyclohexa-1,3-dien-1-yl]methanamine
PubChem CID163710887
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name[6-[5-(trifluoromethyl)cyclohex-3-en-1-yl]cyclohexa-1,3-dien-1-yl]methanamine
SMILESNCC1=CC=CCC1C1CC=CC(C(F)(F)F)C1
InChIInChI=1S/C14H18F3N/c15-14(16,17)12-6-3-5-10(8-12)13-7-2-1-4-11(13)9-18/h1-4,6,10,12-13H,5,7-9,18H2
InChIKeyKJCSFQDMQUVXNB-UHFFFAOYSA-N
XLogP3.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.59
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

[5-(Trifluoromethyl)cyclohexen-1-yl]methanamine
CID 89100068
[1-[(1S,5E)-5-[(2E)-3-fluoropenta-2,4-dienylidene]cyclohex-2-en-1-yl]cyclohexyl]methanamine
CID 117742851
1-(4,4-Difluorocyclohexyl)cyclohexa-3,5-diene-1,2-diamine
CID 118338291
3-[3-Tert-butyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2-methylpropan-1-amine
CID 123175642
[4-[(2S)-3,3-difluorobutan-2-yl]cyclopenta-1,3-dien-1-yl]methanamine
CID 124095417
[4-[(E)-hept-3-enyl]-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methanamine
CID 131981650
[4-Methyl-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanamine
CID 142478074
[5-(Trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanamine
CID 142837073
1-(2-Fluoro-5,6-dimethylcyclohexa-1,3-dien-1-yl)butan-1-amine
CID 142905008
[3,6-Dimethyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanamine
CID 149349702
5-(6-Ethyl-2-fluorocyclohexa-1,3-dien-1-yl)pentan-1-amine
CID 155135133
(1R)-2-[6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-2,4-dien-1-amine
CID 164042692

Frequently Asked Questions

What is the IUPAC name of [6-[5-(trifluoromethyl)cyclohex-3-en-1-yl]cyclohexa-1,3-dien-1-yl]methanamine?
The IUPAC name of [6-[5-(trifluoromethyl)cyclohex-3-en-1-yl]cyclohexa-1,3-dien-1-yl]methanamine (CID 163710887) is [6-[5-(trifluoromethyl)cyclohex-3-en-1-yl]cyclohexa-1,3-dien-1-yl]methanamine.
What is the SMILES notation for [6-[5-(trifluoromethyl)cyclohex-3-en-1-yl]cyclohexa-1,3-dien-1-yl]methanamine?
The canonical SMILES for [6-[5-(trifluoromethyl)cyclohex-3-en-1-yl]cyclohexa-1,3-dien-1-yl]methanamine is NCC1=CC=CCC1C1CC=CC(C(F)(F)F)C1.
What is the InChIKey of [6-[5-(trifluoromethyl)cyclohex-3-en-1-yl]cyclohexa-1,3-dien-1-yl]methanamine?
The InChIKey is KJCSFQDMQUVXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c15-14(16,17)12-6-3-5-10(8-12)13-7-2-1-4-11(13)9-18/h1-4,6,10,12-13H,5,7-9,18H2.
What are the key properties of [6-[5-(trifluoromethyl)cyclohex-3-en-1-yl]cyclohexa-1,3-dien-1-yl]methanamine?
[6-[5-(trifluoromethyl)cyclohex-3-en-1-yl]cyclohexa-1,3-dien-1-yl]methanamine has a molecular weight of 257.30 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[5-(trifluoromethyl)cyclohex-3-en-1-yl]cyclohexa-1,3-dien-1-yl]methanamine is sourced from PubChem (CID 163710887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).