(1S)-1-(2-fluoro-5-iodophenyl)butane-1,4-diamine

C10H14FIN2 — CID 171235808

IUPAC(1S)-1-(2-fluoro-5-iodophenyl)butane-1,4-diamine
SMILESNCCC[C@H](N)c1cc(I)ccc1F
InChIInChI=1S/C10H14FIN2/c11-9-4-3-7(12)6-8(9)10(14)2-1-5-13/h3-4,6,10H,1-2,5,13-14H2/t10-/m0/s1
InChIKeyVVYBXGAHFAUART-JTQLQIEISA-N
MW308.14 g/mol
LogP2.17
Rot. Bonds4

About (1S)-1-(2-fluoro-5-iodophenyl)butane-1,4-diamine

(1S)-1-(2-fluoro-5-iodophenyl)butane-1,4-diamine (PubChem CID 171235808) has the molecular formula C10H14FIN2 and a molecular weight of 308.14 g/mol. Its IUPAC name is (1S)-1-(2-fluoro-5-iodophenyl)butane-1,4-diamine.

Molecular Properties

Compound Name(1S)-1-(2-fluoro-5-iodophenyl)butane-1,4-diamine
PubChem CID171235808
Molecular FormulaC10H14FIN2
Molecular Weight308.14 g/mol
Exact Mass308.02
IUPAC Name(1S)-1-(2-fluoro-5-iodophenyl)butane-1,4-diamine
SMILESNCCC[C@H](N)c1cc(I)ccc1F
InChIInChI=1S/C10H14FIN2/c11-9-4-3-7(12)6-8(9)10(14)2-1-5-13/h3-4,6,10H,1-2,5,13-14H2/t10-/m0/s1
InChIKeyVVYBXGAHFAUART-JTQLQIEISA-N
XLogP2.17
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(2-fluoro-5-iodophenyl)butane-1,4-diamine
CID 171216174
(1S)-1-(2-fluoro-5-iodophenyl)pentane-1,5-diamine
CID 171235810
(1R)-1-(2-fluoro-5-iodophenyl)propane-1,3-diamine
CID 131016633
(1R)-1-(2-fluoro-5-iodophenyl)pentan-1-amine;hydrochloride
CID 171216184
(4R)-4-amino-4-(2-fluoro-5-iodophenyl)butan-1-ol;hydrochloride
CID 171216213
(1S)-1-(2-fluoro-5-iodophenyl)hexan-1-amine;hydrochloride
CID 171235820
(3R)-3-amino-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride
CID 171216211
1-(5-chloro-2-fluorophenyl)butane-1,4-diamine
CID 116933749
(1R)-1-(2,5-difluorophenyl)butane-1,4-diamine
CID 171204237
(1R)-1-(2-fluoro-5-iodophenyl)pent-4-en-1-amine;hydrochloride
CID 171216202
(1R)-1-(2-fluoro-5-methylphenyl)butane-1,4-diamine
CID 171204011
(1R)-1-(2,5-difluorophenyl)pentane-1,5-diamine
CID 171204239

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-fluoro-5-iodophenyl)butane-1,4-diamine?
The IUPAC name of (1S)-1-(2-fluoro-5-iodophenyl)butane-1,4-diamine (CID 171235808) is (1S)-1-(2-fluoro-5-iodophenyl)butane-1,4-diamine.
What is the SMILES notation for (1S)-1-(2-fluoro-5-iodophenyl)butane-1,4-diamine?
The canonical SMILES for (1S)-1-(2-fluoro-5-iodophenyl)butane-1,4-diamine is NCCC[C@H](N)c1cc(I)ccc1F.
What is the InChIKey of (1S)-1-(2-fluoro-5-iodophenyl)butane-1,4-diamine?
The InChIKey is VVYBXGAHFAUART-JTQLQIEISA-N. The full InChI is InChI=1S/C10H14FIN2/c11-9-4-3-7(12)6-8(9)10(14)2-1-5-13/h3-4,6,10H,1-2,5,13-14H2/t10-/m0/s1.
What are the key properties of (1S)-1-(2-fluoro-5-iodophenyl)butane-1,4-diamine?
(1S)-1-(2-fluoro-5-iodophenyl)butane-1,4-diamine has a molecular weight of 308.14 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-fluoro-5-iodophenyl)butane-1,4-diamine is sourced from PubChem (CID 171235808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).