3-chloro-N-decyl-4-fluoroaniline

C16H25ClFN — CID 83108687

IUPAC3-chloro-N-decyl-4-fluoroaniline
SMILESCCCCCCCCCCNc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H25ClFN/c1-2-3-4-5-6-7-8-9-12-19-14-10-11-16(18)15(17)13-14/h10-11,13,19H,2-9,12H2,1H3
InChIKeyINZJBMBFXIDCKF-UHFFFAOYSA-N
MW285.83 g/mol
LogP6.03
Rot. Bonds10

About 3-chloro-N-decyl-4-fluoroaniline

3-chloro-N-decyl-4-fluoroaniline (PubChem CID 83108687) has the molecular formula C16H25ClFN and a molecular weight of 285.83 g/mol. Its IUPAC name is 3-chloro-N-decyl-4-fluoroaniline.

Molecular Properties

Compound Name3-chloro-N-decyl-4-fluoroaniline
PubChem CID83108687
Molecular FormulaC16H25ClFN
Molecular Weight285.83 g/mol
Exact Mass285.17
IUPAC Name3-chloro-N-decyl-4-fluoroaniline
SMILESCCCCCCCCCCNc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H25ClFN/c1-2-3-4-5-6-7-8-9-12-19-14-10-11-16(18)15(17)13-14/h10-11,13,19H,2-9,12H2,1H3
InChIKeyINZJBMBFXIDCKF-UHFFFAOYSA-N
XLogP6.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.83
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-dodecyl-4-methylaniline
CID 63487569
3-bromo-N-dodecyl-4-fluoroaniline
CID 104777613
1-(3-chloro-4-fluorophenyl)-3-nonylthiourea
CID 19651101
1-(3-chloro-4-fluorophenyl)-3-hexylthiourea
CID 19650769
3-chloro-N-heptyl-4-methoxyaniline
CID 43129175
N-decyl-3-fluoro-4-methylaniline
CID 63488478
N-(3-chloro-4-fluorophenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195858
3-chloro-4-fluoro-N-octan-2-ylaniline
CID 43130117
4-chloro-2-fluoro-N-heptylaniline
CID 43716552
2-chloro-4-(pentylamino)benzonitrile
CID 43168369
3-chloro-N-hexyl-4-nitroaniline
CID 80505222
N-[2-chloro-4-(heptylamino)phenyl]acetamide
CID 43690209

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-decyl-4-fluoroaniline?
The IUPAC name of 3-chloro-N-decyl-4-fluoroaniline (CID 83108687) is 3-chloro-N-decyl-4-fluoroaniline.
What is the SMILES notation for 3-chloro-N-decyl-4-fluoroaniline?
The canonical SMILES for 3-chloro-N-decyl-4-fluoroaniline is CCCCCCCCCCNc1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-N-decyl-4-fluoroaniline?
The InChIKey is INZJBMBFXIDCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClFN/c1-2-3-4-5-6-7-8-9-12-19-14-10-11-16(18)15(17)13-14/h10-11,13,19H,2-9,12H2,1H3.
What are the key properties of 3-chloro-N-decyl-4-fluoroaniline?
3-chloro-N-decyl-4-fluoroaniline has a molecular weight of 285.83 g/mol, XLogP of 6.03, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-decyl-4-fluoroaniline is sourced from PubChem (CID 83108687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).