5-chloro-2-fluoro-N-(3-fluoropropyl)aniline

C9H10ClF2N — CID 81107052

IUPAC5-chloro-2-fluoro-N-(3-fluoropropyl)aniline
SMILESFCCCNc1cc(Cl)ccc1F
InChIInChI=1S/C9H10ClF2N/c10-7-2-3-8(12)9(6-7)13-5-1-4-11/h2-3,6,13H,1,4-5H2
InChIKeyYPDJGSGVNOGUGA-UHFFFAOYSA-N
MW205.64 g/mol
LogP3.25
Rot. Bonds4

About 5-chloro-2-fluoro-N-(3-fluoropropyl)aniline

5-chloro-2-fluoro-N-(3-fluoropropyl)aniline (PubChem CID 81107052) has the molecular formula C9H10ClF2N and a molecular weight of 205.64 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(3-fluoropropyl)aniline.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-(3-fluoropropyl)aniline
PubChem CID81107052
Molecular FormulaC9H10ClF2N
Molecular Weight205.64 g/mol
Exact Mass205.05
IUPAC Name5-chloro-2-fluoro-N-(3-fluoropropyl)aniline
SMILESFCCCNc1cc(Cl)ccc1F
InChIInChI=1S/C9H10ClF2N/c10-7-2-3-8(12)9(6-7)13-5-1-4-11/h2-3,6,13H,1,4-5H2
InChIKeyYPDJGSGVNOGUGA-UHFFFAOYSA-N
XLogP3.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 53.25
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

1-N-(5-chloro-2-fluorophenyl)-4-methylpentane-1,4-diamine
CID 115205164
5-chloro-N-(3-fluoropropyl)-2-methoxyaniline
CID 81106313
5-chloro-2-fluoro-N-(4-methoxybutyl)aniline
CID 115735656
2-chloro-5-fluoro-N-(3-fluoropropyl)aniline
CID 107528126
5-bromo-2,4-difluoro-N-(3-fluoropropyl)aniline
CID 102853522
2,4-difluoro-N-(3-fluoropropyl)aniline
CID 81106316
2-bromo-5-chloro-N-(2-fluoroethyl)aniline
CID 81280084
4-[3-(5-chloro-2-fluoroanilino)propoxy]benzonitrile
CID 52702907
5-chloro-2-fluoro-N-(2-propan-2-yloxyethyl)aniline
CID 60680287
N-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-2-fluoroaniline
CID 43381912
4-chloro-2-fluoro-N-heptylaniline
CID 43716552
5-chloro-N-(2-fluoroethyl)-2-methoxyaniline
CID 80700235

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-(3-fluoropropyl)aniline?
The IUPAC name of 5-chloro-2-fluoro-N-(3-fluoropropyl)aniline (CID 81107052) is 5-chloro-2-fluoro-N-(3-fluoropropyl)aniline.
What is the SMILES notation for 5-chloro-2-fluoro-N-(3-fluoropropyl)aniline?
The canonical SMILES for 5-chloro-2-fluoro-N-(3-fluoropropyl)aniline is FCCCNc1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-(3-fluoropropyl)aniline?
The InChIKey is YPDJGSGVNOGUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2N/c10-7-2-3-8(12)9(6-7)13-5-1-4-11/h2-3,6,13H,1,4-5H2.
What are the key properties of 5-chloro-2-fluoro-N-(3-fluoropropyl)aniline?
5-chloro-2-fluoro-N-(3-fluoropropyl)aniline has a molecular weight of 205.64 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-(3-fluoropropyl)aniline is sourced from PubChem (CID 81107052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).