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

C13H21F4N — CID 144800482

IUPACethane;3,3,3-trifluoro-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-N-methylpropan-1-amine
SMILESCC.CN(CCC(F)(F)F)CC1=CC=C(F)CC1
InChIInChI=1S/C11H15F4N.C2H6/c1-16(7-6-11(13,14)15)8-9-2-4-10(12)5-3-9;1-2/h2,4H,3,5-8H2,1H3;1-2H3
InChIKeyHBNDFZGEZQDIKE-UHFFFAOYSA-N
MW267.31 g/mol
LogP4.47
Rot. Bonds4

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

ethane;3,3,3-trifluoro-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-N-methylpropan-1-amine (PubChem CID 144800482) has the molecular formula C13H21F4N and a molecular weight of 267.31 g/mol. Its IUPAC name is ethane;3,3,3-trifluoro-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Nameethane;3,3,3-trifluoro-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-N-methylpropan-1-amine
PubChem CID144800482
Molecular FormulaC13H21F4N
Molecular Weight267.31 g/mol
Exact Mass267.16
IUPAC Nameethane;3,3,3-trifluoro-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-N-methylpropan-1-amine
SMILESCC.CN(CCC(F)(F)F)CC1=CC=C(F)CC1
InChIInChI=1S/C11H15F4N.C2H6/c1-16(7-6-11(13,14)15)8-9-2-4-10(12)5-3-9;1-2/h2,4H,3,5-8H2,1H3;1-2H3
InChIKeyHBNDFZGEZQDIKE-UHFFFAOYSA-N
XLogP4.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;3,3,3-trifluoro-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-N-methylpropan-1-amine with MolForge

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Related Compounds

1-fluoro-N-(fluoromethyl)-N-hexylcyclohexa-2,4-dien-1-amine
CID 17948295
1-fluoro-N-hexyl-N-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 69896644
1-fluoro-N-(2-methylpentyl)-N-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-amine
CID 87882851
1-fluoro-N-hexyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexa-2,4-dien-1-amine
CID 88042753
1-[(4E,6Z,8E)-6-methyl-8-(trifluoromethyl)deca-4,6,8-trienyl]piperidine
CID 89355344
7-Fluoro-2-propan-2-yl-1,3,4,5-tetrahydrocyclohepta[c]pyridine
CID 91218244
4-ethyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 91452600
1-(2-Ethenylbut-2-enyl)-3,3-difluoropiperidine
CID 123339362
1-(3-Fluoro-2-propan-2-ylidenehex-3-enyl)piperidine
CID 123561041
(3Z,5E)-N-methyl-2-methylidene-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)hepta-3,5-dien-1-amine
CID 130242890
1-[(4E,6Z,8E)-9-fluoro-4-methylnona-4,6,8-trienyl]piperidine
CID 130243379
(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 ethane;3,3,3-trifluoro-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-N-methylpropan-1-amine?
The IUPAC name of ethane;3,3,3-trifluoro-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-N-methylpropan-1-amine (CID 144800482) is ethane;3,3,3-trifluoro-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-N-methylpropan-1-amine.
What is the SMILES notation for ethane;3,3,3-trifluoro-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-N-methylpropan-1-amine?
The canonical SMILES for ethane;3,3,3-trifluoro-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-N-methylpropan-1-amine is CC.CN(CCC(F)(F)F)CC1=CC=C(F)CC1.
What is the InChIKey of ethane;3,3,3-trifluoro-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-N-methylpropan-1-amine?
The InChIKey is HBNDFZGEZQDIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F4N.C2H6/c1-16(7-6-11(13,14)15)8-9-2-4-10(12)5-3-9;1-2/h2,4H,3,5-8H2,1H3;1-2H3.
What are the key properties of ethane;3,3,3-trifluoro-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-N-methylpropan-1-amine?
ethane;3,3,3-trifluoro-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-N-methylpropan-1-amine has a molecular weight of 267.31 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3,3,3-trifluoro-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 144800482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).