N'-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethane-1,2-diamine

C9H13F3N2 — CID 143834921

IUPACN'-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethane-1,2-diamine
SMILESNCCNC1=CCCC(C(F)(F)F)=C1
InChIInChI=1S/C9H13F3N2/c10-9(11,12)7-2-1-3-8(6-7)14-5-4-13/h3,6,14H,1-2,4-5,13H2
InChIKeyGCBZMJRFEKJDMI-UHFFFAOYSA-N
MW206.21 g/mol
LogP1.70
Rot. Bonds3

About N'-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethane-1,2-diamine

N'-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethane-1,2-diamine (PubChem CID 143834921) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is N'-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethane-1,2-diamine
PubChem CID143834921
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC NameN'-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethane-1,2-diamine
SMILESNCCNC1=CCCC(C(F)(F)F)=C1
InChIInChI=1S/C9H13F3N2/c10-9(11,12)7-2-1-3-8(6-7)14-5-4-13/h3,6,14H,1-2,4-5,13H2
InChIKeyGCBZMJRFEKJDMI-UHFFFAOYSA-N
XLogP1.70
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[6-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methyl]cyclopropanamine
CID 118889339
(Z)-1-[4-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-1,2-dihydropyridin-6-yl]-3,3,3-trifluoroprop-1-en-1-amine
CID 129044709
3-Amino-5-(trifluoromethyl)-1,2-dihydropyridine-6-carbonitrile
CID 137445521
(1Z,3E)-3-(trifluoromethyl)-1-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-2-yl]-1,2-dihydropyridin-2-yl]penta-1,3-dien-1-amine
CID 138626041
2-methyl-5-(trifluoromethyl)-1H-pyridine-2,3-diamine
CID 139433951
Ethane;1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine
CID 142167043
1-[(3E,6E)-7-(trifluoromethyl)nona-1,3,6-trien-3-yl]piperazine
CID 142202920
N,N'-dimethyl-N'-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethane-1,2-diamine
CID 143303397
N-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 144220855
N,N'-dimethyl-N'-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine
CID 145278555
2,6-Dimethyl-4-(trifluoromethyl)-1,2-dihydropyridine;ethane
CID 153569853
2-ethyl-5-(trifluoromethyl)-1H-pyridine-2,3-diamine
CID 153929293

Frequently Asked Questions

What is the IUPAC name of N'-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethane-1,2-diamine?
The IUPAC name of N'-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethane-1,2-diamine (CID 143834921) is N'-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethane-1,2-diamine is NCCNC1=CCCC(C(F)(F)F)=C1.
What is the InChIKey of N'-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethane-1,2-diamine?
The InChIKey is GCBZMJRFEKJDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2/c10-9(11,12)7-2-1-3-8(6-7)14-5-4-13/h3,6,14H,1-2,4-5,13H2.
What are the key properties of N'-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethane-1,2-diamine?
N'-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethane-1,2-diamine has a molecular weight of 206.21 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethane-1,2-diamine is sourced from PubChem (CID 143834921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).