1-(4,4-difluorocyclohexyl)cyclohexa-3,5-diene-1,2-diamine

C12H18F2N2 — CID 118338291

IUPAC1-(4,4-difluorocyclohexyl)cyclohexa-3,5-diene-1,2-diamine
SMILESNC1C=CC=CC1(N)C1CCC(F)(F)CC1
InChIInChI=1S/C12H18F2N2/c13-11(14)7-4-9(5-8-11)12(16)6-2-1-3-10(12)15/h1-3,6,9-10H,4-5,7-8,15-16H2
InChIKeySVIGYKWSTYXSBN-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.96
Rot. Bonds1

About 1-(4,4-difluorocyclohexyl)cyclohexa-3,5-diene-1,2-diamine

1-(4,4-difluorocyclohexyl)cyclohexa-3,5-diene-1,2-diamine (PubChem CID 118338291) has the molecular formula C12H18F2N2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)cyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)cyclohexa-3,5-diene-1,2-diamine
PubChem CID118338291
Molecular FormulaC12H18F2N2
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name1-(4,4-difluorocyclohexyl)cyclohexa-3,5-diene-1,2-diamine
SMILESNC1C=CC=CC1(N)C1CCC(F)(F)CC1
InChIInChI=1S/C12H18F2N2/c13-11(14)7-4-9(5-8-11)12(16)6-2-1-3-10(12)15/h1-3,6,9-10H,4-5,7-8,15-16H2
InChIKeySVIGYKWSTYXSBN-UHFFFAOYSA-N
XLogP1.96
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)cyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)cyclohexa-3,5-diene-1,2-diamine (CID 118338291) is 1-(4,4-difluorocyclohexyl)cyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)cyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)cyclohexa-3,5-diene-1,2-diamine is NC1C=CC=CC1(N)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)cyclohexa-3,5-diene-1,2-diamine?
The InChIKey is SVIGYKWSTYXSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2/c13-11(14)7-4-9(5-8-11)12(16)6-2-1-3-10(12)15/h1-3,6,9-10H,4-5,7-8,15-16H2.
What are the key properties of 1-(4,4-difluorocyclohexyl)cyclohexa-3,5-diene-1,2-diamine?
1-(4,4-difluorocyclohexyl)cyclohexa-3,5-diene-1,2-diamine has a molecular weight of 228.29 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)cyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 118338291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).