4-fluoro-3-pentylbenzene-1,2-diamine

C11H17FN2 — CID 66930645

IUPAC4-fluoro-3-pentylbenzene-1,2-diamine
SMILESCCCCCc1c(F)ccc(N)c1N
InChIInChI=1S/C11H17FN2/c1-2-3-4-5-8-9(12)6-7-10(13)11(8)14/h6-7H,2-5,13-14H2,1H3
InChIKeyGXBWMABMQOFMTM-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.72
Rot. Bonds4

About 4-fluoro-3-pentylbenzene-1,2-diamine

4-fluoro-3-pentylbenzene-1,2-diamine (PubChem CID 66930645) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 4-fluoro-3-pentylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-3-pentylbenzene-1,2-diamine
PubChem CID66930645
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name4-fluoro-3-pentylbenzene-1,2-diamine
SMILESCCCCCc1c(F)ccc(N)c1N
InChIInChI=1S/C11H17FN2/c1-2-3-4-5-8-9(12)6-7-10(13)11(8)14/h6-7H,2-5,13-14H2,1H3
InChIKeyGXBWMABMQOFMTM-UHFFFAOYSA-N
XLogP2.72
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihexylbenzene-1,4-diamine
CID 18324632
3,4-dibutylbenzene-1,2-diamine
CID 18764845
2-fluoro-4-pentylaniline
CID 146198864
3-butyl-4-(trifluoromethyl)benzene-1,2-diamine
CID 175271914
2,4-dimethyl-3-pentylaniline
CID 68571869
2-decylbenzene-1,3-diamine
CID 141061522
4-bromo-3-methyl-2-pentylaniline
CID 70568327
2,4-dihexyl-3-methylaniline
CID 174875923
1-fluoro-2,3-dioctylbenzene
CID 67729666
4-fluoro-3-methylbenzene-1,2-diamine
CID 22055547
4-fluoro-2-heptylaniline
CID 67191637
4-fluoro-3-octylaniline
CID 70083692

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-pentylbenzene-1,2-diamine?
The IUPAC name of 4-fluoro-3-pentylbenzene-1,2-diamine (CID 66930645) is 4-fluoro-3-pentylbenzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-3-pentylbenzene-1,2-diamine?
The canonical SMILES for 4-fluoro-3-pentylbenzene-1,2-diamine is CCCCCc1c(F)ccc(N)c1N.
What is the InChIKey of 4-fluoro-3-pentylbenzene-1,2-diamine?
The InChIKey is GXBWMABMQOFMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-2-3-4-5-8-9(12)6-7-10(13)11(8)14/h6-7H,2-5,13-14H2,1H3.
What are the key properties of 4-fluoro-3-pentylbenzene-1,2-diamine?
4-fluoro-3-pentylbenzene-1,2-diamine has a molecular weight of 196.27 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-pentylbenzene-1,2-diamine is sourced from PubChem (CID 66930645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).