4-fluoro-1-propylcyclohexa-3,5-diene-1,2-diamine

C9H15FN2 — CID 121493880

IUPAC4-fluoro-1-propylcyclohexa-3,5-diene-1,2-diamine
SMILESCCCC1(N)C=CC(F)=CC1N
InChIInChI=1S/C9H15FN2/c1-2-4-9(12)5-3-7(10)6-8(9)11/h3,5-6,8H,2,4,11-12H2,1H3
InChIKeySWZLCDZVPCCFIO-UHFFFAOYSA-N
MW170.23 g/mol
LogP1.23
Rot. Bonds2

About 4-fluoro-1-propylcyclohexa-3,5-diene-1,2-diamine

4-fluoro-1-propylcyclohexa-3,5-diene-1,2-diamine (PubChem CID 121493880) has the molecular formula C9H15FN2 and a molecular weight of 170.23 g/mol. Its IUPAC name is 4-fluoro-1-propylcyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-1-propylcyclohexa-3,5-diene-1,2-diamine
PubChem CID121493880
Molecular FormulaC9H15FN2
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC Name4-fluoro-1-propylcyclohexa-3,5-diene-1,2-diamine
SMILESCCCC1(N)C=CC(F)=CC1N
InChIInChI=1S/C9H15FN2/c1-2-4-9(12)5-3-7(10)6-8(9)11/h3,5-6,8H,2,4,11-12H2,1H3
InChIKeySWZLCDZVPCCFIO-UHFFFAOYSA-N
XLogP1.23
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,5,6-Tetramethylphenylenediamine
CID 53411773
1,5-Diethyl-3-methylcyclohexa-3,5-diene-1,2-diamine
CID 66700376
1,2-Diaminophenylethane
CID 67250873
1-Cyclopropyl-4-fluorocyclohexa-3,5-diene-1,2-diamine
CID 66847603
6-Ethyl-6-fluorocyclohexa-2,4-diene-1,2-diamine
CID 66866424
5,6-Diethyl-6-fluorocyclohexa-1,4-diene-1,2,3-triamine
CID 68772718
6-Fluoro-6-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 68854686
3-(4-Fluoro-4-methylcyclohexa-1,5-dien-1-yl)-2-methylpropane-1,2-diamine
CID 70092247
1-[(5R)-2-fluoro-5-methylcyclohexa-1,3-dien-1-yl]ethanamine
CID 89318381
3-Butyl-3-fluorocyclohexa-1,5-diene-1,4-diamine
CID 90030738
2,3-Diethyl-3-fluorocyclohexa-1,5-diene-1,4-diamine
CID 90030982
1-(2,2-Difluoroethyl)cyclohexa-3,5-diene-1,2-diamine
CID 118338645

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-propylcyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 4-fluoro-1-propylcyclohexa-3,5-diene-1,2-diamine (CID 121493880) is 4-fluoro-1-propylcyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 4-fluoro-1-propylcyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 4-fluoro-1-propylcyclohexa-3,5-diene-1,2-diamine is CCCC1(N)C=CC(F)=CC1N.
What is the InChIKey of 4-fluoro-1-propylcyclohexa-3,5-diene-1,2-diamine?
The InChIKey is SWZLCDZVPCCFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2/c1-2-4-9(12)5-3-7(10)6-8(9)11/h3,5-6,8H,2,4,11-12H2,1H3.
What are the key properties of 4-fluoro-1-propylcyclohexa-3,5-diene-1,2-diamine?
4-fluoro-1-propylcyclohexa-3,5-diene-1,2-diamine has a molecular weight of 170.23 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-propylcyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 121493880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).