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

C9H10ClF2N — CID 107528126

IUPAC2-chloro-5-fluoro-N-(3-fluoropropyl)aniline
SMILESFCCCNc1cc(F)ccc1Cl
InChIInChI=1S/C9H10ClF2N/c10-8-3-2-7(12)6-9(8)13-5-1-4-11/h2-3,6,13H,1,4-5H2
InChIKeyQDVHBKASGUDIGN-UHFFFAOYSA-N
MW205.64 g/mol
LogP3.25
Rot. Bonds4

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

2-chloro-5-fluoro-N-(3-fluoropropyl)aniline (PubChem CID 107528126) has the molecular formula C9H10ClF2N and a molecular weight of 205.64 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(3-fluoropropyl)aniline.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(3-fluoropropyl)aniline
PubChem CID107528126
Molecular FormulaC9H10ClF2N
Molecular Weight205.64 g/mol
Exact Mass205.05
IUPAC Name2-chloro-5-fluoro-N-(3-fluoropropyl)aniline
SMILESFCCCNc1cc(F)ccc1Cl
InChIInChI=1S/C9H10ClF2N/c10-8-3-2-7(12)6-9(8)13-5-1-4-11/h2-3,6,13H,1,4-5H2
InChIKeyQDVHBKASGUDIGN-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

2,4-difluoro-N-(3-fluoropropyl)aniline
CID 81106316
2-chloro-5-fluoro-N-(4-phenylbutyl)aniline
CID 107528122
6-(2-chloro-5-fluoroanilino)hexanoic acid
CID 107528389
N-but-3-ynyl-2-chloro-5-fluoroaniline
CID 103864067
2,6-dichloro-4-fluoro-N-(3-fluoropropyl)aniline
CID 83079484
5-chloro-2-fluoro-N-(3-fluoropropyl)aniline
CID 81107052
3,4-dichloro-N-(3-fluoropropyl)aniline
CID 81106053
2-chloro-N-[(3,5-difluorophenyl)methyl]-5-fluoroaniline
CID 107526967
3-(2-chloro-5-fluoroanilino)-N'-hydroxypropanimidamide
CID 107528793
4-(2-chloro-5-fluoroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 107528785
2,3-dichloro-N-(3-fluoropropyl)aniline
CID 81106558
3-bromo-4-chloro-N-(3-fluoropropyl)aniline
CID 81107325

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(3-fluoropropyl)aniline?
The IUPAC name of 2-chloro-5-fluoro-N-(3-fluoropropyl)aniline (CID 107528126) is 2-chloro-5-fluoro-N-(3-fluoropropyl)aniline.
What is the SMILES notation for 2-chloro-5-fluoro-N-(3-fluoropropyl)aniline?
The canonical SMILES for 2-chloro-5-fluoro-N-(3-fluoropropyl)aniline is FCCCNc1cc(F)ccc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-N-(3-fluoropropyl)aniline?
The InChIKey is QDVHBKASGUDIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2N/c10-8-3-2-7(12)6-9(8)13-5-1-4-11/h2-3,6,13H,1,4-5H2.
What are the key properties of 2-chloro-5-fluoro-N-(3-fluoropropyl)aniline?
2-chloro-5-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 2-chloro-5-fluoro-N-(3-fluoropropyl)aniline is sourced from PubChem (CID 107528126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).