3-(3-fluoropentan-3-yl)benzene-1,2-diamine

C11H17FN2 — CID 22286916

IUPAC3-(3-fluoropentan-3-yl)benzene-1,2-diamine
SMILESCCC(F)(CC)c1cccc(N)c1N
InChIInChI=1S/C11H17FN2/c1-3-11(12,4-2)8-6-5-7-9(13)10(8)14/h5-7H,3-4,13-14H2,1-2H3
InChIKeyPWZBQVNVMVCKTR-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.84
Rot. Bonds3

About 3-(3-fluoropentan-3-yl)benzene-1,2-diamine

3-(3-fluoropentan-3-yl)benzene-1,2-diamine (PubChem CID 22286916) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 3-(3-fluoropentan-3-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-(3-fluoropentan-3-yl)benzene-1,2-diamine
PubChem CID22286916
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name3-(3-fluoropentan-3-yl)benzene-1,2-diamine
SMILESCCC(F)(CC)c1cccc(N)c1N
InChIInChI=1S/C11H17FN2/c1-3-11(12,4-2)8-6-5-7-9(13)10(8)14/h5-7H,3-4,13-14H2,1-2H3
InChIKeyPWZBQVNVMVCKTR-UHFFFAOYSA-N
XLogP2.84
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropentan-3-yl)benzene-1,2-diamine?
The IUPAC name of 3-(3-fluoropentan-3-yl)benzene-1,2-diamine (CID 22286916) is 3-(3-fluoropentan-3-yl)benzene-1,2-diamine.
What is the SMILES notation for 3-(3-fluoropentan-3-yl)benzene-1,2-diamine?
The canonical SMILES for 3-(3-fluoropentan-3-yl)benzene-1,2-diamine is CCC(F)(CC)c1cccc(N)c1N.
What is the InChIKey of 3-(3-fluoropentan-3-yl)benzene-1,2-diamine?
The InChIKey is PWZBQVNVMVCKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-3-11(12,4-2)8-6-5-7-9(13)10(8)14/h5-7H,3-4,13-14H2,1-2H3.
What are the key properties of 3-(3-fluoropentan-3-yl)benzene-1,2-diamine?
3-(3-fluoropentan-3-yl)benzene-1,2-diamine has a molecular weight of 196.27 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropentan-3-yl)benzene-1,2-diamine is sourced from PubChem (CID 22286916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).