N-methyl-1-[4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine

C9H12F3NO — CID 145221898

IUPACN-methyl-1-[4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine
SMILESCNCC1=CC=C(OC(F)(F)F)CC1
InChIInChI=1S/C9H12F3NO/c1-13-6-7-2-4-8(5-3-7)14-9(10,11)12/h2,4,13H,3,5-6H2,1H3
InChIKeyUYUCYDBPRCXTLF-UHFFFAOYSA-N
MW207.19 g/mol
LogP2.35
Rot. Bonds3

About N-methyl-1-[4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine

N-methyl-1-[4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine (PubChem CID 145221898) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is N-methyl-1-[4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine
PubChem CID145221898
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC NameN-methyl-1-[4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine
SMILESCNCC1=CC=C(OC(F)(F)F)CC1
InChIInChI=1S/C9H12F3NO/c1-13-6-7-2-4-8(5-3-7)14-9(10,11)12/h2,4,13H,3,5-6H2,1H3
InChIKeyUYUCYDBPRCXTLF-UHFFFAOYSA-N
XLogP2.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluoro-4-methoxycyclohexa-1,3-dien-1-yl)-N-methylmethanamine
CID 153714132
N-[[4-(difluoromethoxy)-2-fluorocyclohexa-1,3-dien-1-yl]methyl]formamide
CID 143561692
[4-(Trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine
CID 153688992
[3-Fluoro-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine
CID 162566380
[6-Methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine
CID 162582684
1-[4-(difluoromethoxy)-5-methylcyclohexa-1,3-dien-1-yl]-N-methylmethanamine
CID 162594791
[4-(Difluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine
CID 162604665
1-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylmethanamine
CID 123390807
4-(Methylaminomethyl)cyclohexa-1,3-dien-1-ol
CID 144673112

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine?
The IUPAC name of N-methyl-1-[4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine (CID 145221898) is N-methyl-1-[4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine is CNCC1=CC=C(OC(F)(F)F)CC1.
What is the InChIKey of N-methyl-1-[4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine?
The InChIKey is UYUCYDBPRCXTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c1-13-6-7-2-4-8(5-3-7)14-9(10,11)12/h2,4,13H,3,5-6H2,1H3.
What are the key properties of N-methyl-1-[4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine?
N-methyl-1-[4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine has a molecular weight of 207.19 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine is sourced from PubChem (CID 145221898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).