4,4-difluoro-N-methylcyclohexen-1-amine

C7H11F2N — CID 162565161

IUPAC4,4-difluoro-N-methylcyclohexen-1-amine
SMILESCNC1=CCC(F)(F)CC1
InChIInChI=1S/C7H11F2N/c1-10-6-2-4-7(8,9)5-3-6/h2,10H,3-5H2,1H3
InChIKeyZANNBNZIRRCPPV-UHFFFAOYSA-N
MW147.17 g/mol
LogP1.91
Rot. Bonds1

About 4,4-difluoro-N-methylcyclohexen-1-amine

4,4-difluoro-N-methylcyclohexen-1-amine (PubChem CID 162565161) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is 4,4-difluoro-N-methylcyclohexen-1-amine.

Molecular Properties

Compound Name4,4-difluoro-N-methylcyclohexen-1-amine
PubChem CID162565161
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name4,4-difluoro-N-methylcyclohexen-1-amine
SMILESCNC1=CCC(F)(F)CC1
InChIInChI=1S/C7H11F2N/c1-10-6-2-4-7(8,9)5-3-6/h2,10H,3-5H2,1H3
InChIKeyZANNBNZIRRCPPV-UHFFFAOYSA-N
XLogP1.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methylamino cyclohexanene
CID 18621675
5-pentyl-2-(trifluoromethyl)-2,3-dihydro-1H-pyrrole
CID 70124611
2-(3,3,3-Trifluoropropylidene)piperidine
CID 117818431
3-fluoro-N-methylcyclohexa-1,3-dien-1-amine
CID 143631170
4-fluoro-N-methylcyclohexa-1,3-dien-1-amine
CID 143967026
3-Fluoro-6-methyl-1,2,3,4-tetrahydropyridine
CID 148008923
3,4-difluoro-N-methylcyclohexa-1,3-dien-1-amine
CID 148428937
6,6-difluoro-N-methylhex-1-en-2-amine
CID 156423081
N-methyl-4-(trifluoromethyl)cyclohexen-1-amine
CID 156424034
(Z)-7,7,7-trifluoro-6-N-methylhept-5-ene-1,6-diamine
CID 163523940
N-methyl-N-(trifluoromethyl)cyclohexen-1-amine
CID 166661074
N-methyl-4-(1,1,2,2,2-pentafluoroethyl)cyclohexa-1,3-dien-1-amine
CID 167256994

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-methylcyclohexen-1-amine?
The IUPAC name of 4,4-difluoro-N-methylcyclohexen-1-amine (CID 162565161) is 4,4-difluoro-N-methylcyclohexen-1-amine.
What is the SMILES notation for 4,4-difluoro-N-methylcyclohexen-1-amine?
The canonical SMILES for 4,4-difluoro-N-methylcyclohexen-1-amine is CNC1=CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-methylcyclohexen-1-amine?
The InChIKey is ZANNBNZIRRCPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N/c1-10-6-2-4-7(8,9)5-3-6/h2,10H,3-5H2,1H3.
What are the key properties of 4,4-difluoro-N-methylcyclohexen-1-amine?
4,4-difluoro-N-methylcyclohexen-1-amine has a molecular weight of 147.17 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-methylcyclohexen-1-amine is sourced from PubChem (CID 162565161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).