3,3,3-trifluoro-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-N-methylpropan-1-amine

C11H15F4N — CID 144800457

IUPAC3,3,3-trifluoro-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-N-methylpropan-1-amine
SMILESCN(CCC(F)(F)F)CC1=CC=C(F)CC1
InChIInChI=1S/C11H15F4N/c1-16(7-6-11(13,14)15)8-9-2-4-10(12)5-3-9/h2,4H,3,5-8H2,1H3
InChIKeyCIOLGIGCSHHYIW-UHFFFAOYSA-N
MW237.24 g/mol
LogP3.44
Rot. Bonds4

About 3,3,3-trifluoro-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-N-methylpropan-1-amine

3,3,3-trifluoro-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-N-methylpropan-1-amine (PubChem CID 144800457) has the molecular formula C11H15F4N and a molecular weight of 237.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-N-methylpropan-1-amine
PubChem CID144800457
Molecular FormulaC11H15F4N
Molecular Weight237.24 g/mol
Exact Mass237.11
IUPAC Name3,3,3-trifluoro-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-N-methylpropan-1-amine
SMILESCN(CCC(F)(F)F)CC1=CC=C(F)CC1
InChIInChI=1S/C11H15F4N/c1-16(7-6-11(13,14)15)8-9-2-4-10(12)5-3-9/h2,4H,3,5-8H2,1H3
InChIKeyCIOLGIGCSHHYIW-UHFFFAOYSA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-N-hexyl-N-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 69896644
4-methyl-1-(3,3,3-trifluoropropyl)-3,6-dihydro-2H-pyridine
CID 69929361
1-fluoro-N-(1,1,2,2,2-pentafluoroethyl)-N-propylcyclohexa-2,4-dien-1-amine
CID 87882835
1-fluoro-N-(2-methylpentyl)-N-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-amine
CID 87882851
1-fluoro-N-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexa-2,4-dien-1-amine
CID 88042544
1-fluoro-N-hexyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexa-2,4-dien-1-amine
CID 88042753
4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 89078466
1-[(4E,6Z,8E)-6-methyl-8-(trifluoromethyl)deca-4,6,8-trienyl]piperidine
CID 89355344
4-ethyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 91452600
1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 126994799
(3Z,5E)-N-methyl-2-methylidene-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)hepta-3,5-dien-1-amine
CID 130242890
(4Z)-4-[(Z)-1,2-difluoroethenyl]-N,N-dipropylhepta-4,6-dien-1-amine
CID 130243422

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-N-methylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-N-methylpropan-1-amine (CID 144800457) is 3,3,3-trifluoro-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-N-methylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-N-methylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-N-methylpropan-1-amine is CN(CCC(F)(F)F)CC1=CC=C(F)CC1.
What is the InChIKey of 3,3,3-trifluoro-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-N-methylpropan-1-amine?
The InChIKey is CIOLGIGCSHHYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F4N/c1-16(7-6-11(13,14)15)8-9-2-4-10(12)5-3-9/h2,4H,3,5-8H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-N-methylpropan-1-amine?
3,3,3-trifluoro-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-N-methylpropan-1-amine has a molecular weight of 237.24 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 144800457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).