difluoromethanamine;(1-fluorocyclohexa-2,4-dien-1-yl)benzene

C13H14F3N — CID 158788538

IUPACdifluoromethanamine;(1-fluorocyclohexa-2,4-dien-1-yl)benzene
SMILESFC1(c2ccccc2)C=CC=CC1.NC(F)F
InChIInChI=1S/C12H11F.CH3F2N/c13-12(9-5-2-6-10-12)11-7-3-1-4-8-11;2-1(3)4/h1-9H,10H2;1H,4H2
InChIKeyIRZGCFLJNVKDJO-UHFFFAOYSA-N
MW241.26 g/mol
LogP3.54
Rot. Bonds1

About difluoromethanamine;(1-fluorocyclohexa-2,4-dien-1-yl)benzene

difluoromethanamine;(1-fluorocyclohexa-2,4-dien-1-yl)benzene (PubChem CID 158788538) has the molecular formula C13H14F3N and a molecular weight of 241.26 g/mol. Its IUPAC name is difluoromethanamine;(1-fluorocyclohexa-2,4-dien-1-yl)benzene.

Molecular Properties

Compound Namedifluoromethanamine;(1-fluorocyclohexa-2,4-dien-1-yl)benzene
PubChem CID158788538
Molecular FormulaC13H14F3N
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Namedifluoromethanamine;(1-fluorocyclohexa-2,4-dien-1-yl)benzene
SMILESFC1(c2ccccc2)C=CC=CC1.NC(F)F
InChIInChI=1S/C12H11F.CH3F2N/c13-12(9-5-2-6-10-12)11-7-3-1-4-8-11;2-1(3)4/h1-9H,10H2;1H,4H2
InChIKeyIRZGCFLJNVKDJO-UHFFFAOYSA-N
XLogP3.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-phenylcyclohexa-2,4-dien-1-amine
CID 97049769
(1-ethylcyclohexa-2,4-dien-1-yl)benzene;methanamine
CID 174888236
2-(1-phenylcyclohexa-2,4-dien-1-yl)ethanamine
CID 141124285
(1-pentoxycyclohexa-2,4-dien-1-yl)benzene
CID 154489063
[1-(1-fluorocyclohexa-2,4-dien-1-yl)isoquinolin-3-yl]methanol
CID 67858434
[2-(1-ethenylcyclohexa-2,4-dien-1-yl)-1-phenylethyl]benzene
CID 175202770
[2-(1-phenylcyclohexa-2,4-dien-1-yl)phenyl]methanol
CID 155775169
[1-(1-fluoroethyl)cyclopropyl]benzene
CID 84716993
(R)-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-phenylmethanol
CID 97049928
(1-methylcyclohexa-2,4-dien-1-yl)-phenylmethanol
CID 71773988
[1-(2-butoxyethyl)cyclohexa-2,4-dien-1-yl]benzene
CID 139694160
ethane;4-[1-(4-hydroxyphenyl)cyclohexa-2,4-dien-1-yl]phenol
CID 159421128

Frequently Asked Questions

What is the IUPAC name of difluoromethanamine;(1-fluorocyclohexa-2,4-dien-1-yl)benzene?
The IUPAC name of difluoromethanamine;(1-fluorocyclohexa-2,4-dien-1-yl)benzene (CID 158788538) is difluoromethanamine;(1-fluorocyclohexa-2,4-dien-1-yl)benzene.
What is the SMILES notation for difluoromethanamine;(1-fluorocyclohexa-2,4-dien-1-yl)benzene?
The canonical SMILES for difluoromethanamine;(1-fluorocyclohexa-2,4-dien-1-yl)benzene is FC1(c2ccccc2)C=CC=CC1.NC(F)F.
What is the InChIKey of difluoromethanamine;(1-fluorocyclohexa-2,4-dien-1-yl)benzene?
The InChIKey is IRZGCFLJNVKDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F.CH3F2N/c13-12(9-5-2-6-10-12)11-7-3-1-4-8-11;2-1(3)4/h1-9H,10H2;1H,4H2.
What are the key properties of difluoromethanamine;(1-fluorocyclohexa-2,4-dien-1-yl)benzene?
difluoromethanamine;(1-fluorocyclohexa-2,4-dien-1-yl)benzene has a molecular weight of 241.26 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethanamine;(1-fluorocyclohexa-2,4-dien-1-yl)benzene is sourced from PubChem (CID 158788538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).